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

Systemtic Name: [3-methoxy-4-(5-oxidanylidene-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] propane-1-sulfonate Openeye Name: [3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-(5-keto-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)-3-methoxy-phenyl] ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-3-8-25(21,22)24-10-4-5-11(13(9-10)23-2)15-17-12-6-7-14(20)18-16(12)19-15/h4-7,9H,3,8H2,1-2H3,(H2,17,18,19,20)