2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonylbenzonitrile Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H16F3N3O2S/c19-18(20,21)15-5-3-6-16(12-15)23-8-10-24(11-9-23)27(25,26)17-7-2-1-4-14(17)13-22/h1-7,12H,8-11H2