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

Systemtic Name: N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzenesulfonamide CAS Name: N-[7-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzenesulfonamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-13(2)12-25-21-18(11-15-5-4-14(3)10-19(15)22-21)20(23-25)24-31(29,30)17-8-6-16(7-9-17)26(27)28/h4-11,13H,12H2,1-3H3,(H,23,24)