4-fluoranyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide CAS Name: 4-fluoro-N-[7-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2S/c1-13(2)12-26-21-18(11-15-5-4-14(3)10-19(15)23-21)20(24-26)25-29(27,28)17-8-6-16(22)7-9-17/h4-11,13H,12H2,1-3H3,(H,24,25)