[4-(phenylsulfonyl)phenyl]methyl 4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [4-(phenylsulfonyl)phenyl]methyl 4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [4-(benzenesulfonyl)phenyl]methyl 4-(4-methoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methoxy-2-nitroanilino)-4-oxobutanoic acid [4-(benzenesulfonyl)phenyl]methyl ester IUPAC Name: [4-(benzenesulfonyl)phenyl]methyl 4-(4-methoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxy-2-nitro-anilino)butyric acid (4-besylbenzyl) ester Formula: C24H22N2O8S MolecularWeight: 498.50508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O8S/c1-33-18-9-12-21(22(15-18)26(29)30)25-23(27)13-14-24(28)34-16-17-7-10-20(11-8-17)35(31,32)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,25,27)