N-ethyl-N-[3-[(4-fluorophenyl)methyl]-7-methyl-9-oxidanyl-8-oxidanylidene-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide

Systemtic Name: N-ethyl-N-[3-[(4-fluorophenyl)methyl]-7-methyl-9-oxidanyl-8-oxidanylidene-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide Openeye Name: N-ethyl-N-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide CAS Name: N-ethyl-N-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide IUPAC Name: N-ethyl-N-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide Traditional Name: N-ethyl-N-[3-(4-fluorobenzyl)-9-hydroxy-8-keto-7-methyl-6H-pyrrolo[3,4-g]quinolin-5-yl]methanesulfonamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C2CN(C(=O)C2=C(C3=NC=C(C=C13)CC4=CC=C(C=C4)F)O)C)S(=O)(=O)C

Isomeric SMILES

CCN(C1=C2CN(C(=O)C2=C(C3=NC=C(C=C13)CC4=CC=C(C=C4)F)O)C)S(=O)(=O)C

InChI

InChI=1S/C22H22FN3O4S/c1-4-26(31(3,29)30)20-16-10-14(9-13-5-7-15(23)8-6-13)11-24-19(16)21(27)18-17(20)12-25(2)22(18)28/h5-8,10-11,27H,4,9,12H2,1-3H3