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

Systemtic Name: N-[3-[(4-bromanyl-2-methyl-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(4-bromo-2-methyl-anilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(4-bromo-2-methylanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(4-bromo-2-methyl-anilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H15BrN6O2S2 MolecularWeight: 527.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H15BrN6O2S2/c1-12-11-13(22)9-10-14(12)23-20-21(25-16-6-3-2-5-15(16)24-20)28-32(29,30)18-8-4-7-17-19(18)27-31-26-17/h2-11H,1H3,(H,23,24)(H,25,28)