4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]benzonitrile Formula: C20H17F6N3O2S MolecularWeight: 477.423299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F6N3O2S/c21-19(22,23)16-9-17(20(24,25)26)11-18(10-16)32(30,31)29-7-5-28(6-8-29)13-15-3-1-14(12-27)2-4-15/h1-4,9-11H,5-8,13H2