[3-[(3S)-1-phenethylpiperidin-3-yl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-[(3S)-1-phenethylpiperidin-3-yl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-[(3S)-1-phenethyl-3-piperidyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[(3S)-1-phenethyl-3-piperidinyl]phenyl] ester IUPAC Name: [3-[(3S)-1-phenethylpiperidin-3-yl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-[(3S)-1-phenethyl-3-piperidyl]phenyl] ester Formula: C20H22F3NO3S MolecularWeight: 413.45379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C[C@H](CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H22F3NO3S/c21-20(22,23)28(25,26)27-19-10-4-8-17(14-19)18-9-5-12-24(15-18)13-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2/t18-/m1/s1