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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-15-4-6-16(7-5-15)13-23-20(25)14-29-21(26)19-3-2-12-24(19)30(27,28)18-10-8-17(22)9-11-18/h4-11,19H,2-3,12-14H2,1H3,(H,23,25)/t19-/m0/s1