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

Systemtic Name: 2-[4-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-bromophenyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-bromophenyl)sulfonylpiperazino]methyl]phenyl]benzonitrile Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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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=CC=C4Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H22BrN3O2S/c25-23-7-3-4-8-24(23)31(29,30)28-15-13-27(14-16-28)18-19-9-11-20(12-10-19)22-6-2-1-5-21(22)17-26/h1-12H,13-16,18H2