[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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