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

Systemtic Name: N-[7-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-9-oxidanyl-8-oxidanylidene-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methyl-methanesulfonamide Openeye Name: N-[7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methyl-methanesulfonamide CAS Name: N-[7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide IUPAC Name: N-[7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide Traditional Name: N-[7-[4-fluoro-3-(trifluoromethyl)benzyl]-9-hydroxy-8-keto-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methyl-methanesulfonamide Formula: C21H17F4N3O4S MolecularWeight: 483.435993

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C2CN(C(=O)C2=C(C3=C1C=CC=N3)O)CC4=CC(=C(C=C4)F)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CN(C1=C2CN(C(=O)C2=C(C3=C1C=CC=N3)O)CC4=CC(=C(C=C4)F)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C21H17F4N3O4S/c1-27(33(2,31)32)18-12-4-3-7-26-17(12)19(29)16-13(18)10-28(20(16)30)9-11-5-6-15(22)14(8-11)21(23,24)25/h3-8,29H,9-10H2,1-2H3