[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C21H20F3NO5S MolecularWeight: 455.44741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20F3NO5S/c22-21(23,24)16-8-6-7-15(13-16)19(26)14-30-20(27)18-11-4-5-12-25(18)31(28,29)17-9-2-1-3-10-17/h1-3,6-10,13,18H,4-5,11-12,14H2