3-(4-pyridin-2-ylpiperazin-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-pyridin-2-ylpiperazin-1-yl)propane-1-sulfonic acid Openeye Name: 3-[4-(2-pyridyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(2-pyridinyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-(4-pyridin-2-ylpiperazin-1-yl)propane-1-sulfonic acid Traditional Name: 3-[4-(2-pyridyl)piperazino]propane-1-sulfonic acid Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=CC=N2

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C12H19N3O3S/c16-19(17,18)11-3-6-14-7-9-15(10-8-14)12-4-1-2-5-13-12/h1-2,4-5H,3,6-11H2,(H,16,17,18)