ethyl 2-[(2Z)-2-(phenylsulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-2-(phenylsulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H17N3O6S3 MolecularWeight: 455.52838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)S(=O)(=O)N)S/C1=N\S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O6S3/c1-2-26-16(21)11-20-14-9-8-13(28(18,22)23)10-15(14)27-17(20)19-29(24,25)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,18,22,23)/b19-17-