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

Systemtic Name: 3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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