[3-methoxy-4-(5-oxidanylidene-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] butane-1-sulfonate

Systemtic Name: [3-methoxy-4-(5-oxidanylidene-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] butane-1-sulfonate Openeye Name: [3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-(5-keto-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)-3-methoxy-phenyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC(=O)N3)OC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC(=O)N3)OC

InChI

InChI=1S/C17H19N3O5S/c1-3-4-9-26(22,23)25-11-5-6-12(14(10-11)24-2)16-18-13-7-8-15(21)19-17(13)20-16/h5-8,10H,3-4,9H2,1-2H3,(H2,18,19,20,21)