3-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O4S/c20-19(21,22)29-16-4-6-17(7-5-16)30(27,28)25-10-8-24(9-11-25)18(26)15-3-1-2-14(12-15)13-23/h1-7,12H,8-11H2