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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-(4-brosylpiperazino)benzonitrile Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3O2S/c18-15-5-7-16(8-6-15)24(22,23)21-11-9-20(10-12-21)17-4-2-1-3-14(17)13-19/h1-8H,9-12H2