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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C23H26ClNO5S MolecularWeight: 463.97424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO5S/c1-16(2)17-5-9-21(10-6-17)31(28,29)25-13-11-19(12-14-25)23(27)30-15-22(26)18-3-7-20(24)8-4-18/h3-10,16,19H,11-15H2,1-2H3