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

Systemtic Name: N-(7-methyl-1-propyl-pyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(7-methyl-1-propyl-pyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzenesulfonamide CAS Name: N-(7-methyl-1-propyl-3-pyrazolo[3,4-b]quinolinyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(7-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(7-methyl-1-propyl-pyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzenesulfonamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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