[7-[(4-fluorophenyl)methyl]-9-oxidanyl-8-oxidanylidene-6H-pyrrolo[3,4-g]quinolin-5-yl] 1-methylimidazole-4-sulfonate

Systemtic Name: [7-[(4-fluorophenyl)methyl]-9-oxidanyl-8-oxidanylidene-6H-pyrrolo[3,4-g]quinolin-5-yl] 1-methylimidazole-4-sulfonate Openeye Name: [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 1-methylimidazole-4-sulfonate CAS Name: 1-methyl-4-imidazolesulfonic acid [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] ester IUPAC Name: [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 1-methylimidazole-4-sulfonate Traditional Name: 1-methylimidazole-4-sulfonic acid [7-(4-fluorobenzyl)-9-hydroxy-8-keto-6H-pyrrolo[3,4-g]quinolin-5-yl] ester Formula: C22H17FN4O5S MolecularWeight: 468.457583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)OC2=C3CN(C(=O)C3=C(C4=C2C=CC=N4)O)CC5=CC=C(C=C5)F

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)OC2=C3CN(C(=O)C3=C(C4=C2C=CC=N4)O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C22H17FN4O5S/c1-26-11-17(25-12-26)33(30,31)32-21-15-3-2-8-24-19(15)20(28)18-16(21)10-27(22(18)29)9-13-4-6-14(23)7-5-13/h2-8,11-12,28H,9-10H2,1H3