8739
  CDK     0813212310

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4751    1.5717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    1.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -2.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    2.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  3  2  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5 13  2  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:177418

> <NAME>
carzenide

> <STAR>
2

> <IUPAC_NAME>
4-sulamoylbenzoic acid

> <FORMULA>
C7H7NO4S

> <MASS>
201.200

> <MONOISOTOPIC_MASS>
201.00958

> <CHARGE>
0

> <SMILES>
S(=O)(=O)(N)C1=CC=C(C=C1)C(O)=O

> <INCHI>
InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)

> <INCHIKEY>
UCAGLBKTLXCODC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
138-41-0

> <CHEMIDPLUS>
138-41-0

> <KEGG_DRUG_ACCESSION>
D09322

> <PDBECHEM_ACCESSION>
4SO

$$$$