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

Systemtic Name: 2-[[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-(3,4-difluorophenyl)sulfonyl-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazino]methyl]glutaronitrile Formula: C16H18F2N4O2S MolecularWeight: 368.401526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CCC#N)C#N)S(=O)(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

C1CN(CCN1CC(CCC#N)C#N)S(=O)(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C16H18F2N4O2S/c17-15-4-3-14(10-16(15)18)25(23,24)22-8-6-21(7-9-22)12-13(11-20)2-1-5-19/h3-4,10,13H,1-2,6-9,12H2