N-(1-butyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide

Systemtic Name: N-(1-butyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide Openeye Name: N-(1-butyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide CAS Name: N-(1-butyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)benzenesulfonamide IUPAC Name: N-(1-butyl-6-methylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide Traditional Name: N-(1-butyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-3-4-12-25-21-18(14-16-13-15(2)10-11-19(16)22-21)20(23-25)24-28(26,27)17-8-6-5-7-9-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24)