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

Systemtic Name: [7-[(4-fluorophenyl)methyl]-9-oxidanyl-8-oxidanylidene-6H-pyrrolo[3,4-g]quinolin-5-yl] 6-morpholin-4-ylpyridine-3-sulfonate Openeye Name: [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 6-morpholinopyridine-3-sulfonate CAS Name: 6-(4-morpholinyl)-3-pyridinesulfonic 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] 6-morpholin-4-ylpyridine-3-sulfonate Traditional Name: 6-morpholinopyridine-3-sulfonic acid [7-(4-fluorobenzyl)-9-hydroxy-8-keto-6H-pyrrolo[3,4-g]quinolin-5-yl] ester Formula: C27H23FN4O6S MolecularWeight: 550.558123

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)S(=O)(=O)OC3=C4CN(C(=O)C4=C(C5=C3C=CC=N5)O)CC6=CC=C(C=C6)F

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)S(=O)(=O)OC3=C4CN(C(=O)C4=C(C5=C3C=CC=N5)O)CC6=CC=C(C=C6)F

InChI

InChI=1S/C27H23FN4O6S/c28-18-5-3-17(4-6-18)15-32-16-21-23(27(32)34)25(33)24-20(2-1-9-29-24)26(21)38-39(35,36)19-7-8-22(30-14-19)31-10-12-37-13-11-31/h1-9,14,33H,10-13,15-16H2