3-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[4-(trifluoromethyl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C19H16F3N3O3S MolecularWeight: 423.40885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O3S/c20-19(21,22)16-6-4-15(5-7-16)18(26)24-8-10-25(11-9-24)29(27,28)17-3-1-2-14(12-17)13-23/h1-7,12H,8-11H2