3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile CAS Name: 3-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-(4-brosylpiperazino)propionitrile Formula: C13H16BrN3O2S MolecularWeight: 358.25404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3O2S/c14-12-2-4-13(5-3-12)20(18,19)17-10-8-16(9-11-17)7-1-6-15/h2-5H,1,7-11H2