4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(trifluoromethyl)benzyl]piperazino]sulfonylbenzonitrile Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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