N-[3-[(3-bromophenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(3-bromophenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3-bromoanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3-bromoanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3-bromoanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(3-bromoanilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C20H13BrN6O2S2 MolecularWeight: 513.39022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C20H13BrN6O2S2/c21-12-5-3-6-13(11-12)22-19-20(24-15-8-2-1-7-14(15)23-19)27-31(28,29)17-10-4-9-16-18(17)26-30-25-16/h1-11H,(H,22,23)(H,24,27)