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

Systemtic Name: 5-(ethylsulfonylamino)-2-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]benzoic acid Openeye Name: 5-(ethylsulfonylamino)-2-[4-(6-morpholinopyridazin-3-yl)piperazin-1-yl]benzoic acid CAS Name: 5-(ethylsulfonylamino)-2-[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-(ethylsulfonylamino)-2-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]benzoic acid Traditional Name: 5-(esylamino)-2-[4-(6-morpholinopyridazin-3-yl)piperazino]benzoic acid Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O5S/c1-2-33(30,31)24-16-3-4-18(17(15-16)21(28)29)25-7-9-26(10-8-25)19-5-6-20(23-22-19)27-11-13-32-14-12-27/h3-6,15,24H,2,7-14H2,1H3,(H,28,29)