methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(p-tolylsulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-sulfamoyl-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H17N3O6S3 MolecularWeight: 455.52838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

InChI

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