2-[4-(phenylsulfonyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(4-besylpiperazino)acetonitrile Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CC#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3O2S/c13-6-7-14-8-10-15(11-9-14)18(16,17)12-4-2-1-3-5-12/h1-5H,7-11H2