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

Systemtic Name: 3-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-(2,6-difluorophenyl)sulfonylpiperazino]methyl]-4-fluoro-benzonitrile Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O2S/c19-15-5-4-13(11-22)10-14(15)12-23-6-8-24(9-7-23)27(25,26)18-16(20)2-1-3-17(18)21/h1-5,10H,6-9,12H2