[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C23H17ClN4O8S MolecularWeight: 544.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H17ClN4O8S/c1-35-21-8-5-16(28(31)32)10-20(21)27-37(33,34)17-6-7-19(24)18(11-17)23(30)36-13-22(29)26-15-4-2-3-14(9-15)12-25/h2-11,27H,13H2,1H3,(H,26,29)