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

Systemtic Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C20H15F6N3O3S MolecularWeight: 491.406819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F6N3O3S/c21-19(22,23)15-9-16(20(24,25)26)11-17(10-15)33(31,32)29-6-4-28(5-7-29)18(30)14-3-1-2-13(8-14)12-27/h1-3,8-11H,4-7H2