2-[3-(trifluoromethyl)phenyl]sulfanylethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester Formula: C22H23F3N2O3S MolecularWeight: 452.48983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCSC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCCSC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H23F3N2O3S/c23-22(24,25)17-5-4-8-19(15-17)31-14-13-30-20(28)16-9-11-27(12-10-16)21(29)26-18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H,26,29)