[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C23H20ClN3O7S MolecularWeight: 517.9388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O7S/c1-15(22(28)26-18-8-5-9-19(13-18)27(30)31)34-23(29)17-10-11-20(24)21(12-17)35(32,33)25-14-16-6-3-2-4-7-16/h2-13,15,25H,14H2,1H3,(H,26,28)