N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoranyl-benzenesulfonamide Openeye Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoro-benzenesulfonamide CAS Name: N-(1-butyl-8-methyl-3-pyrazolo[3,4-b]quinolinyl)-4-fluorobenzenesulfonamide IUPAC Name: N-(1-butyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide Traditional Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoro-benzenesulfonamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2S/c1-3-4-12-26-21-18(13-15-7-5-6-14(2)19(15)23-21)20(24-26)25-29(27,28)17-10-8-16(22)9-11-17/h5-11,13H,3-4,12H2,1-2H3,(H,24,25)