[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2R)-2-methylpiperidino]sulfonylbenzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO5S/c1-15-4-2-3-13-23(15)29(26,27)19-11-7-17(8-12-19)21(25)28-14-20(24)16-5-9-18(22)10-6-16/h5-12,15H,2-4,13-14H2,1H3/t15-/m1/s1