5-(methylsulfonylamino)-2-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-(methylsulfonylamino)-2-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]benzoic acid Openeye Name: 5-(methanesulfonamido)-2-[4-(6-morpholinopyridazin-3-yl)piperazin-1-yl]benzoic acid CAS Name: 5-(methanesulfonamido)-2-[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-(methanesulfonamido)-2-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]benzoic acid Traditional Name: 5-(methanesulfonamido)-2-[4-(6-morpholinopyridazin-3-yl)piperazino]benzoic acid Formula: C20H26N6O5S MolecularWeight: 462.52264

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)C(=O)O

InChI

InChI=1S/C20H26N6O5S/c1-32(29,30)23-15-2-3-17(16(14-15)20(27)28)24-6-8-25(9-7-24)18-4-5-19(22-21-18)26-10-12-31-13-11-26/h2-5,14,23H,6-13H2,1H3,(H,27,28)