3-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[3-(trifluoromethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[3-(trifluoromethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[3-(trifluoromethyl)piperidino]sulfonylbenzonitrile Formula: C13H13F3N2O2S MolecularWeight: 318.31473

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O2S/c14-13(15,16)11-4-2-6-18(9-11)21(19,20)12-5-1-3-10(7-12)8-17/h1,3,5,7,11H,2,4,6,9H2