[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (2R)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-tosylpipecolinic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O5S/c1-16-6-10-18(11-7-16)23-21(25)15-29-22(26)20-5-3-4-14-24(20)30(27,28)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,25)/t20-/m1/s1