Marvin  12070916092D          

 14 15  0  0  0  0            999 V2000
   -2.0330    2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7475    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7475    0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186    0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340    0.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    1.3553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339    2.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204    2.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4765    3.0332    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900    3.8301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3015    3.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890    2.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <ID>
CHEBI:10127

> <NAME>
zonisamide

> <DEFINITION>
A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:139857

> <SYNONYM>
Benzo[d]isoxazol-3-yl-methanesulfonamide; 3-(Sulfamoylmethyl)-1,2-benzisoxazole; 1,2-Benzisoxazole-3-methanesulfonamide

> <IUPAC_NAME>
1-(1,2-benzisoxazol-3-yl)methanesulfonamide

> <INN>
zonisamidum; zonisamide; zonisamida

> <FORMULA>
C8H8N2O3S

> <MASS>
212.22600

> <MONOISOTOPIC_MASS>
212.02556

> <CHARGE>
0

> <SMILES>
NS(=O)(=O)Cc1noc2ccccc12

> <INCHI>
InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)

> <INCHIKEY>
UBQNRHZMVUUOMG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1077076

> <CAS_REGISTRY_NUMBER>
68291-97-4

> <CHEMIDPLUS>
68291-97-4

> <DRUGBANK_ACCESSION>
DB00909

> <KEGG_COMPOUND_ACCESSION>
C07504

> <KEGG_DRUG_ACCESSION>
D00538

> <LINCS_ACCESSION>
LSM-3062

> <WIKIPEDIA_ACCESSION>
Zonisamide

$$$$