N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide

Systemtic Name: N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide Openeye Name: N-(1-isobutyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide CAS Name: N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]benzenesulfonamide IUPAC Name: N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide Traditional Name: N-(1-isobutyl-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:

CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NS(=O)(=O)C4=CC=CC=C4)CC(C)C

Isomeric SMILES

CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NS(=O)(=O)C4=CC=CC=C4)CC(C)C

InChI

InChI=1S/C21H22N4O2S/c1-14(2)13-25-21-18(12-16-11-15(3)9-10-19(16)22-21)20(23-25)24-28(26,27)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,23,24)