3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[(4-brosylpiperazino)methyl]benzonitrile Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2S/c19-17-4-6-18(7-5-17)25(23,24)22-10-8-21(9-11-22)14-16-3-1-2-15(12-16)13-20/h1-7,12H,8-11,14H2