[3-(trifluoromethyl)phenyl]methyl (3S)-1-(phenylsulfonyl)piperidine-3-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl (3S)-1-(phenylsulfonyl)piperidine-3-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl (3S)-1-(benzenesulfonyl)piperidine-3-carboxylate CAS Name: (3S)-1-(benzenesulfonyl)-3-piperidinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl (3S)-1-(benzenesulfonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-besylnipecotic acid [3-(trifluoromethyl)benzyl] ester Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3NO4S/c21-20(22,23)17-8-4-6-15(12-17)14-28-19(25)16-7-5-11-24(13-16)29(26,27)18-9-2-1-3-10-18/h1-4,6,8-10,12,16H,5,7,11,13-14H2/t16-/m0/s1