N-[4-bromanyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-bromanyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-bromo-2-(3-keto-4H-quinoxalin-2-yl)phenyl]piazthiole-4-sulfonamide Formula: C20H12BrN5O3S2 MolecularWeight: 514.37498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)Br)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)Br)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H12BrN5O3S2/c21-11-8-9-13(26-31(28,29)17-7-3-6-16-19(17)25-30-24-16)12(10-11)18-20(27)23-15-5-2-1-4-14(15)22-18/h1-10,26H,(H,23,27)