4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonic acid Openeye Name: 4-[4-(2-pyridyl)piperazin-1-yl]benzenesulfonic acid CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]benzenesulfonic acid IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonic acid Traditional Name: 4-[4-(2-pyridyl)piperazino]besylic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C15H17N3O3S/c19-22(20,21)14-6-4-13(5-7-14)17-9-11-18(12-10-17)15-3-1-2-8-16-15/h1-8H,9-12H2,(H,19,20,21)