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

Systemtic Name: 2-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 2-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 2-[4-(2-cyanophenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 2-[4-(2-cyanophenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 2-[4-(2-cyanophenyl)piperazino]propane-1-sulfonic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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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)