N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-(1-butyl-8-methyl-3-pyrazolo[3,4-b]quinolinyl)-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-(1-butyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzofurazan-4-sulfonamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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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=CC5=NON=C54

Isomeric SMILES

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NS(=O)(=O)C4=CC=CC5=NON=C54

InChI

InChI=1S/C21H20N6O3S/c1-3-4-11-27-21-15(12-14-8-5-7-13(2)18(14)22-21)20(23-27)26-31(28,29)17-10-6-9-16-19(17)25-30-24-16/h5-10,12H,3-4,11H2,1-2H3,(H,23,26)