3-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C18H17F2N3O2S MolecularWeight: 377.408286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H17F2N3O2S/c19-16-5-2-6-17(20)18(16)26(24,25)23-9-7-22(8-10-23)13-15-4-1-3-14(11-15)12-21/h1-6,11H,7-10,13H2