1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine hydrochloride

Systemtic Name: 1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine hydrochloride Openeye Name: 1-benzyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine hydrochloride CAS Name: 1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine hydrochloride IUPAC Name: 1-benzyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine hydrochloride Traditional Name: 1-benzyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine hydrochloride Formula: C18H20ClF3N2O2S MolecularWeight: 420.87681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F.Cl

InChI

InChI=1S/C18H19F3N2O2S.ClH/c19-18(20,21)16-7-4-8-17(13-16)26(24,25)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15;/h1-8,13H,9-12,14H2;1H