2910
  -OEChem-05052411552D

 40 43  0     1  0  0  0  0  0999 V2000
    3.4022    0.8140    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -1.2102    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -1.2343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -2.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4323   -2.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9056   -2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989   -0.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984   -0.7102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    0.7898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.7376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6644    0.7898    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1284    0.4874    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8945    1.1302    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9232    1.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8547    2.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984    0.2898    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9825   -0.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7486   -0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7632    0.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878   -0.0306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5274    0.6305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1018    2.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3268    1.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4203    2.6114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4052    2.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353   -0.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9017   -1.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3633   -0.1698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353   -1.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    1.4098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796    1.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796   -1.8648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -2.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  8 16  1  0  0  0  0
  8 35  1  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
  9 36  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2910

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
758

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOABkAAAAAAAAAAAAAAAAAYIAAAA8QIAAAAAAAACxAAAAHAYQQAAADQrBUCQxwYLAAAKAACRCQHDCABAhBwAIiJwIZoiIICLBk5GEIAhgkALIyCcQgAAOgAYAAEIAAYAADAAAhAADAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2<I>H</I>-1&lambda;<SUP>6</SUP>,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_NAME>
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-diketo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
BOCUKUHCLICSIY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2

> <PUBCHEM_EXACT_MASS>
389.0270760

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16ClN3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
389.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.0270760

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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  14  3
12  15  3
13  15  3
19  20  8
19  21  8
20  22  8
21  24  8
22  23  8
23  24  8
16  9  3

$$$$