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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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