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

Systemtic Name: N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[7-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-(1-isobutyl-7-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:

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NS(=O)(=O)C4=CC=CC5=NON=C54

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NS(=O)(=O)C4=CC=CC5=NON=C54

InChI

InChI=1S/C21H20N6O3S/c1-12(2)11-27-21-15(10-14-8-7-13(3)9-17(14)22-21)20(23-27)26-31(28,29)18-6-4-5-16-19(18)25-30-24-16/h4-10,12H,11H2,1-3H3,(H,23,26)