2-fluoranyl-6-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[2-(trifluoromethylsulfonyl)phenyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(2-triflylphenyl)piperazino]benzonitrile Formula: C18H15F4N3O2S MolecularWeight: 413.389213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H15F4N3O2S/c19-14-4-3-6-15(13(14)12-23)24-8-10-25(11-9-24)16-5-1-2-7-17(16)28(26,27)18(20,21)22/h1-7H,8-11H2