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

Systemtic Name: N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2-nitro-benzenesulfonamide Openeye Name: N-(1-isobutylpyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide CAS Name: N-[1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2-nitrobenzenesulfonamide Traditional Name: N-(1-isobutylpyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-13(2)12-24-20-15(11-14-7-3-4-8-16(14)21-20)19(22-24)23-30(28,29)18-10-6-5-9-17(18)25(26)27/h3-11,13H,12H2,1-2H3,(H,22,23)