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

Systemtic Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-2-nitro-benzenesulfonamide CAS Name: N-(1-butyl-3-pyrazolo[3,4-b]quinolinyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-2-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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

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