11687376
  -OEChem-05072404112D

 25 26  0     0  0  0  0  0  0999 V2000
    4.6783   -2.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286    0.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3276    1.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.2995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    2.2005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.7129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.1806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954    2.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1747    2.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11687376

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
313

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABgAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgB8AAAHAQQQAAADADFWASwAcBAAAiEAiBCADCDAIAgCBBIiJgABIgIICKgkRGAIABggAAoiAcQgMAOgAAAAAAEAAAAAAAAAAgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(sulfamoylamino)methyl]benzothiophene

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(sulfamoylamino)methyl]-1-benzothiophene

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(sulfamoylamino)methyl]-1-benzothiophene

> <PUBCHEM_IUPAC_NAME>
3-[(sulfamoylamino)methyl]-1-benzothiophene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(sulfamoylamino)methyl]-1-benzothiophene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(sulfamoylamino)methyl]benzothiophene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
AWSKBQNOSRREEY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
242.01836991

> <PUBCHEM_MOLECULAR_FORMULA>
C9H10N2O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
242.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CS2)CNS(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=CS2)CNS(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
242.01836991

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
1  10  8
1  11  8
10  13  8
12  14  8
13  15  8
14  15  8
7  11  8
7  8  8
8  10  8
8  12  8

$$$$