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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-phenyl-1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 1-(benzenesulfonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-phenyl-4-piperidinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-besyl-4-phenyl-isonipecotic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C26H24ClNO5S MolecularWeight: 497.99046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClNO5S/c27-22-13-11-20(12-14-22)24(29)19-33-25(30)26(21-7-3-1-4-8-21)15-17-28(18-16-26)34(31,32)23-9-5-2-6-10-23/h1-14H,15-19H2