2-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonate

Systemtic Name: 2-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonate Openeye Name: 2-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonate CAS Name: 2-[4-(2-cyanophenyl)-1-piperazinyl]-1-propanesulfonate IUPAC Name: 2-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonate Traditional Name: 2-[4-(2-cyanophenyl)piperazino]propane-1-sulfonate Formula: C14H18N3O3S- MolecularWeight: 308.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)[O-])N1CCN(CC1)C2=CC=CC=C2C#N

Isomeric SMILES

CC(CS(=O)(=O)[O-])N1CCN(CC1)C2=CC=CC=C2C#N

InChI

InChI=1S/C14H19N3O3S/c1-12(11-21(18,19)20)16-6-8-17(9-7-16)14-5-3-2-4-13(14)10-15/h2-5,12H,6-9,11H2,1H3,(H,18,19,20)/p-1