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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO5S/c1-15-2-4-16(5-3-15)20(24)14-28-21(25)17-10-12-23(13-11-17)29(26,27)19-8-6-18(22)7-9-19/h2-9,17H,10-14H2,1H3