[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: 1-(2-thienylsulfonyl)nipecotic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO5S2 MolecularWeight: 441.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H20ClNO5S2/c1-13(18(22)14-5-2-7-16(20)11-14)26-19(23)15-6-3-9-21(12-15)28(24,25)17-8-4-10-27-17/h2,4-5,7-8,10-11,13,15H,3,6,9,12H2,1H3