3-(methylsulfonylamino)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(methylsulfonylamino)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-(methanesulfonamido)-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-(methanesulfonamido)-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(methanesulfonamido)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-(methanesulfonamido)-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H20N4O4S/c1-26(24,25)19-14-12-13(17(22)23)5-6-15(14)20-8-10-21(11-9-20)16-4-2-3-7-18-16/h2-7,12,19H,8-11H2,1H3,(H,22,23)