[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO5S/c21-16-11-9-15(10-12-16)19(23)14-27-20(24)18-8-4-5-13-22(18)28(25,26)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2/t18-/m1/s1