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

Systemtic Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H14ClN3O6S3 MolecularWeight: 475.94686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O6S3/c1-26-15(21)9-20-13-7-6-12(28(18,22)23)8-14(13)27-16(20)19-29(24,25)11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H2,18,22,23)/b19-16-