[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O5S/c1-15-5-9-17(10-6-15)22-20(24)14-28-21(25)19-4-3-13-23(19)29(26,27)18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,24)/t19-/m0/s1