3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2,2,2-trifluoroethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2,2,2-trifluoroethyl)piperazino]sulfonylbenzonitrile Formula: C13H14F3N3O2S MolecularWeight: 333.32937

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(F)(F)F)S(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN1CC(F)(F)F)S(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H14F3N3O2S/c14-13(15,16)10-18-4-6-19(7-5-18)22(20,21)12-3-1-2-11(8-12)9-17/h1-3,8H,4-7,10H2