4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]sulfamoyl]benzoic acid CAS Name: 4-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[6-(4-methylpiperazino)-3-pyridyl]sulfamoyl]benzoic acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

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