[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H22BrN3O7S MolecularWeight: 624.45918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C28H22BrN3O7S/c1-31(21-12-6-3-7-13-21)40(37,38)23-14-8-11-20(17-23)28(34)39-26(19-9-4-2-5-10-19)27(33)30-25-16-15-22(32(35)36)18-24(25)29/h2-18,26H,1H3,(H,30,33)