4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonylmethyl]-4-phenyl-piperidine hydrochloride

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonylmethyl]-4-phenyl-piperidine hydrochloride Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonylmethyl]-4-phenyl-piperidine hydrochloride CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonylmethyl]-4-phenylpiperidine hydrochloride IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonylmethyl]-4-phenylpiperidine hydrochloride Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]sulfonylmethyl]-4-phenyl-piperidine hydrochloride Formula: C21H22ClF6NO2S MolecularWeight: 501.913299

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(CS(=O)(=O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CNCCC1(CS(=O)(=O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H21F6NO2S.ClH/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-31(29,30)14-19(6-8-28-9-7-19)16-4-2-1-3-5-16;/h1-5,10-12,28H,6-9,13-14H2;1H