4-bromanyl-N-[3-[(4-butoxyphenyl)amino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-[(4-butoxyphenyl)amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(4-butoxyanilino)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(4-butoxyanilino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(4-butoxyanilino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(4-butoxyanilino)quinoxalin-2-yl]benzenesulfonamide Formula: C24H23BrN4O3S MolecularWeight: 527.43342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN4O3S/c1-2-3-16-32-19-12-10-18(11-13-19)26-23-24(28-22-7-5-4-6-21(22)27-23)29-33(30,31)20-14-8-17(25)9-15-20/h4-15H,2-3,16H2,1H3,(H,26,27)(H,28,29)