4-[(2R)-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[(2R)-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazino]sulfonylbenzonitrile Formula: C19H17F4N3O2S MolecularWeight: 427.415793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C19H17F4N3O2S/c1-13-12-25(18-7-4-15(20)10-17(18)19(21,22)23)8-9-26(13)29(27,28)16-5-2-14(11-24)3-6-16/h2-7,10,13H,8-9,12H2,1H3/t13-/m1/s1