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

Systemtic Name: 2-[4-[2-[3-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[3-(trifluoromethyl)phenyl]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H18F3N3O3S/c21-20(22,23)17-6-3-4-15(12-17)13-19(27)25-8-10-26(11-9-25)30(28,29)18-7-2-1-5-16(18)14-24/h1-7,12H,8-11,13H2