N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide CAS Name: N-(1-butyl-8-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(1-butyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-3-4-12-25-21-16(13-15-9-7-8-14(2)19(15)22-21)20(23-25)24-31(29,30)18-11-6-5-10-17(18)26(27)28/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)