[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H26ClNO5S MolecularWeight: 463.97424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C23H26ClNO5S/c1-15-10-16(2)14-25(13-15)31(28,29)21-9-5-7-19(12-21)23(27)30-17(3)22(26)18-6-4-8-20(24)11-18/h4-9,11-12,15-17H,10,13-14H2,1-3H3