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

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[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(=C3)C#N

Isomeric SMILES

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

InChI

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