1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-methyl-N-[4-(methylthio)benzyl]isonipecotamide Formula: C21H23ClF3N3OS MolecularWeight: 457.94003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H23ClF3N3OS/c1-27(13-14-3-5-17(30-2)6-4-14)20(29)15-7-9-28(10-8-15)19-18(22)11-16(12-26-19)21(23,24)25/h3-6,11-12,15H,7-10,13H2,1-2H3