trifluoromethyl 3-[(3S)-1-phenethylpiperidin-3-yl]benzenesulfonate

Systemtic Name: trifluoromethyl 3-[(3S)-1-phenethylpiperidin-3-yl]benzenesulfonate Openeye Name: trifluoromethyl 3-[(3S)-1-phenethyl-3-piperidyl]benzenesulfonate CAS Name: 3-[(3S)-1-phenethyl-3-piperidinyl]benzenesulfonic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 3-[(3S)-1-phenethylpiperidin-3-yl]benzenesulfonate Traditional Name: 3-[(3S)-1-phenethyl-3-piperidyl]benzenesulfonic acid trifluoromethyl ester Formula: C20H22F3NO3S MolecularWeight: 413.45379

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3NO3S/c21-20(22,23)27-28(25,26)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