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

Systemtic Name: [7-[(4-fluorophenyl)methyl]-9-oxidanyl-8-oxidanylidene-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-methylsulfonylpiperazine-1-carboxylate Openeye Name: [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-methylsulfonylpiperazine-1-carboxylate CAS Name: 4-methylsulfonyl-1-piperazinecarboxylic 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] 4-methylsulfonylpiperazine-1-carboxylate Traditional Name: 4-mesylpiperazine-1-carboxylic acid [7-(4-fluorobenzyl)-9-hydroxy-8-keto-6H-pyrrolo[3,4-g]quinolin-5-yl] ester Formula: C24H23FN4O6S MolecularWeight: 514.526023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)OC2=C3CN(C(=O)C3=C(C4=C2C=CC=N4)O)CC5=CC=C(C=C5)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)OC2=C3CN(C(=O)C3=C(C4=C2C=CC=N4)O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C24H23FN4O6S/c1-36(33,34)29-11-9-27(10-12-29)24(32)35-22-17-3-2-8-26-20(17)21(30)19-18(22)14-28(23(19)31)13-15-4-6-16(25)7-5-15/h2-8,30H,9-14H2,1H3