[3-methoxy-4-[5-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-[5-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenyl] methanesulfonate Openeye Name: [3-methoxy-4-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[5-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]-3-methoxy-phenyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=CC3=C(N2)C=CC(=C3)C4=NNC(=O)CC4

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=CC3=C(N2)C=CC(=C3)C4=NNC(=O)CC4

InChI

InChI=1S/C20H19N3O5S/c1-27-19-11-14(28-29(2,25)26)4-5-15(19)18-10-13-9-12(3-6-16(13)21-18)17-7-8-20(24)23-22-17/h3-6,9-11,21H,7-8H2,1-2H3,(H,23,24)