[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H21ClN2O7S MolecularWeight: 516.95074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H21ClN2O7S/c1-16-7-10-19(11-8-16)35(32,33)14-13-22(28)34-23(17-5-3-2-4-6-17)24(29)26-18-9-12-20(25)21(15-18)27(30)31/h2-12,15,23H,13-14H2,1H3,(H,26,29)