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

Systemtic Name: 4-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-bromophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-bromophenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3Br

InChI

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