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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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