2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(trifluoromethyl)benzyl]piperazino]sulfonylbenzonitrile Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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