[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-1-(phenylsulfonyl)piperidine-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-1-(phenylsulfonyl)piperidine-3-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] (3S)-1-(benzenesulfonyl)piperidine-3-carboxylate CAS Name: (3S)-1-(benzenesulfonyl)-3-piperidinecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (3S)-1-(benzenesulfonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-besylnipecotic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-17-9-11-18(12-10-17)14-23-21(25)16-29-22(26)19-6-5-13-24(15-19)30(27,28)20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25)/t19-/m0/s1