3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]benzonitrile Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S/c20-19(21,22)17-6-1-2-7-18(17)28(26,27)25-10-8-24(9-11-25)14-16-5-3-4-15(12-16)13-23/h1-7,12H,8-11,14H2