3-[[2-methoxy-5-(trifluoromethylsulfanyl)phenyl]methyl]-2-phenyl-piperidin-1-amine

Systemtic Name: 3-[[2-methoxy-5-(trifluoromethylsulfanyl)phenyl]methyl]-2-phenyl-piperidin-1-amine Openeye Name: 3-[[2-methoxy-5-(trifluoromethylsulfanyl)phenyl]methyl]-2-phenyl-piperidin-1-amine CAS Name: 3-[[2-methoxy-5-(trifluoromethylthio)phenyl]methyl]-2-phenyl-1-piperidinamine IUPAC Name: 3-[[2-methoxy-5-(trifluoromethylsulfanyl)phenyl]methyl]-2-phenylpiperidin-1-amine Traditional Name: [3-[2-methoxy-5-(trifluoromethylthio)benzyl]-2-phenyl-piperidino]amine Formula: C20H23F3N2OS MolecularWeight: 396.46963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(F)(F)F)CC2CCCN(C2C3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)SC(F)(F)F)CC2CCCN(C2C3=CC=CC=C3)N

InChI

InChI=1S/C20H23F3N2OS/c1-26-18-10-9-17(27-20(21,22)23)13-16(18)12-15-8-5-11-25(24)19(15)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15,19H,5,8,11-12,24H2,1H3