3639
  DSViewer          3D                             0

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.2861    2.0524    0.0308 Cl  0  0  0  0  0  0  0  0  0  1
    7.5065   -1.3943   -0.0990 S   0  0  0  0  0  0  0  0  0  2
    2.0499   -1.0313   -0.4977 S   0  0  0  0  0  0  0  0  0  3
    7.4126   -2.5695    0.8555 O   0  0  0  0  0  0  0  0  0  4
    7.7474   -1.9177   -1.5012 O   0  0  0  0  0  0  0  0  0  5
    2.2535   -2.2168   -1.4243 O   0  0  0  0  0  0  0  0  0  6
    1.0784   -0.0504   -1.1222 O   0  0  0  0  0  0  0  0  0  7
    8.7634   -0.3277    0.3956 N   0  0  0  0  0  0  0  0  0  8
    7.3935    1.6499    0.0465 N   0  0  0  0  0  0  0  0  0  9
    1.3771   -1.6147    0.9869 N   0  0  0  0  0  0  0  0  0 10
    6.0417   -0.4650   -0.0943 C   0  0  0  0  0  0  0  0  0 11
    6.1259    0.9889    0.0481 C   0  0  0  0  0  0  0  0  0 12
    8.6530    0.9689   -0.2765 C   0  0  0  0  0  0  0  0  0 13
    4.8484   -1.0555   -0.2271 C   0  0  0  0  0  0  0  0  0 14
    3.6264   -0.2493   -0.2089 C   0  0  0  0  0  0  0  0  0 15
    5.0235    1.7072    0.1133 C   0  0  0  0  0  0  0  0  0 16
    3.7063    1.0738   -0.0116 C   0  0  0  0  0  0  0  0  0 17
    9.4846    1.5998    0.0374 H   0  0  0  0  0  0  0  0  0 18
    8.7019    0.8120   -1.3540 H   0  0  0  0  0  0  0  0  0 19
    4.7860   -2.1369   -0.3488 H   0  0  0  0  0  0  0  0  0 20
    9.6807   -0.7630    0.2087 H   0  0  0  0  0  0  0  0  0 21
    7.3962    2.6422    0.1326 H   0  0  0  0  0  0  0  0  0 22
    5.0909    2.7850    0.2617 H   0  0  0  0  0  0  0  0  0 23
    0.4687   -2.0634    0.7901 H   0  0  0  0  0  0  0  0  0 24
    2.0158   -2.3052    1.4013 H   0  0  0  0  0  0  0  0  0 25
  1 17  1  0  0  0
  2  4  2  0  0  0
  2  5  2  0  0  0
  2  8  1  0  0  0
  2 11  1  0  0  0
  3  6  2  0  0  0
  3  7  2  0  0  0
  3 10  1  0  0  0
  3 15  1  0  0  0
  8 13  1  0  0  0
  8 21  1  0  0  0
  9 12  1  0  0  0
  9 13  1  0  0  0
  9 22  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 14  2  0  0  0
 12 16  2  0  0  0
 13 18  1  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 15 17  2  0  0  0
 16 17  1  0  0  0
 16 23  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3639

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
494

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOABkAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAYQQAAACAqBUCQxwYLAAAKAACRCQHDCABAhBwAAiJwIZoiIICLBkpGEIAhgkAJIyCcQAAAAAAYAAEIAAYAADAAAhAADAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_NAME>
6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-1,1-diketo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
JZUFKLXOESDKRF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.1

> <PUBCHEM_EXACT_MASS>
296.964

> <PUBCHEM_MOLECULAR_FORMULA>
C7H8ClN3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
297.739

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.964

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  14  8
12  16  8
14  15  8
15  17  8
16  17  8

$$$$
