[4-[2-oxidanyl-3-[2-[5-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]ethylamino]propoxy]phenyl] methanesulfonate

Systemtic Name: [4-[2-oxidanyl-3-[2-[5-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]ethylamino]propoxy]phenyl] methanesulfonate Openeye Name: [4-[2-hydroxy-3-[2-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]ethylamino]propoxy]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-hydroxy-3-[2-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-benzimidazolyl]ethylamino]propoxy]phenyl] ester IUPAC Name: [4-[2-hydroxy-3-[2-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]ethylamino]propoxy]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-hydroxy-3-[2-[5-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]ethylamino]propoxy]phenyl] ester Formula: C23H27N5O6S MolecularWeight: 501.55538

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)OCC(CNCCN2C=NC3=C2C=CC(=C3)C4=NNC(=O)CC4)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)OCC(CNCCN2C=NC3=C2C=CC(=C3)C4=NNC(=O)CC4)O

InChI

InChI=1S/C23H27N5O6S/c1-35(31,32)34-19-5-3-18(4-6-19)33-14-17(29)13-24-10-11-28-15-25-21-12-16(2-8-22(21)28)20-7-9-23(30)27-26-20/h2-6,8,12,15,17,24,29H,7,9-11,13-14H2,1H3,(H,27,30)