2-[4-[4-(trifluoromethyloxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(trifluoromethyloxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(trifluoromethoxy)benzoyl]piperazino]sulfonylbenzonitrile Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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