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

Systemtic Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]benzonitrile Formula: C19H15F6N3O2S MolecularWeight: 463.396719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F6N3O2S/c20-18(21,22)14-9-15(19(23,24)25)11-17(10-14)31(29,30)28-7-5-27(6-8-28)16-3-1-13(12-26)2-4-16/h1-4,9-11H,5-8H2