methyl 4-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]carbonyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]carbonyl-piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethylthio)phenyl]methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[4-(trifluoromethylthio)benzoyl]isonipecotic acid methyl ester Formula: C21H20F3NO3S MolecularWeight: 423.44861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)SC(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)SC(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H20F3NO3S/c1-28-19(27)20(16-5-3-2-4-6-16)11-13-25(14-12-20)18(26)15-7-9-17(10-8-15)29-21(22,23)24/h2-10H,11-14H2,1H3