2-[4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]phenyl]benzonitrile Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O2S/c25-22-9-11-23(12-10-22)31(29,30)28-15-13-27(14-16-28)18-19-5-7-20(8-6-19)24-4-2-1-3-21(24)17-26/h1-12H,13-16,18H2