N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-2-3-12-24-20-17(13-14-6-4-5-7-18(14)21-20)19(22-24)23-30(28,29)16-10-8-15(9-11-16)25(26)27/h4-11,13H,2-3,12H2,1H3,(H,22,23)