4-(4-pyridin-2-ylpiperazin-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(4-pyridin-2-ylpiperazin-1-yl)butane-1-sulfonic acid Openeye Name: 4-[4-(2-pyridyl)piperazin-1-yl]butane-1-sulfonic acid CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanesulfonic acid IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)butane-1-sulfonic acid Traditional Name: 4-[4-(2-pyridyl)piperazino]butane-1-sulfonic acid Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCS(=O)(=O)O)C2=CC=CC=N2

Isomeric SMILES

C1CN(CCN1CCCCS(=O)(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C13H21N3O3S/c17-20(18,19)12-4-3-7-15-8-10-16(11-9-15)13-5-1-2-6-14-13/h1-2,5-6H,3-4,7-12H2,(H,17,18,19)