[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylsulfamoyl)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylsulfamoyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(phenylsulfamoyl)benzoate CAS Name: 4-(phenylsulfamoyl)benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate Traditional Name: 4-(phenylsulfamoyl)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c1-15-7-10-18(13-20(15)25(28)29)23-21(26)14-32-22(27)16-8-11-19(12-9-16)33(30,31)24-17-5-3-2-4-6-17/h2-13,24H,14H2,1H3,(H,23,26)