4-bromanyl-N-[2,2-dimethyl-3-[(5-nitroquinolin-8-yl)amino]propyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2,2-dimethyl-3-[(5-nitroquinolin-8-yl)amino]propyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2,2-dimethyl-3-[(5-nitro-8-quinolyl)amino]propyl]benzenesulfonamide CAS Name: 4-bromo-N-[2,2-dimethyl-3-[(5-nitro-8-quinolinyl)amino]propyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2,2-dimethyl-3-[(5-nitroquinolin-8-yl)amino]propyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2,2-dimethyl-3-[(5-nitro-8-quinolyl)amino]propyl]benzenesulfonamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O4S/c1-20(2,13-24-30(28,29)15-7-5-14(21)6-8-15)12-23-17-9-10-18(25(26)27)16-4-3-11-22-19(16)17/h3-11,23-24H,12-13H2,1-2H3