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

Systemtic Name: 4-bromanyl-N-[3-[(4-methylphenyl)amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(4-methylanilino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(p-toluidino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S/c1-14-6-10-16(11-7-14)23-20-21(25-19-5-3-2-4-18(19)24-20)26-29(27,28)17-12-8-15(22)9-13-17/h2-13H,1H3,(H,23,24)(H,25,26)