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

Systemtic Name: 2-[4-[2-[2-(trifluoromethyl)phenoxy]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[2-(trifluoromethyl)phenoxy]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H18F3N3O4S/c21-20(22,23)16-6-2-3-7-17(16)30-14-19(27)25-9-11-26(12-10-25)31(28,29)18-8-4-1-5-15(18)13-24/h1-8H,9-12,14H2