[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H20ClN3O8S MolecularWeight: 497.9061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O8S/c1-31-18-9-6-14(24(27)28)11-16(18)22-19(25)12-32-20(26)17-3-2-10-23(17)33(29,30)15-7-4-13(21)5-8-15/h4-9,11,17H,2-3,10,12H2,1H3,(H,22,25)/t17-/m0/s1