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

Systemtic Name: N-[3-[(3-methoxyphenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3-methoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3-methoxyanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3-methoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(m-anisidino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H16N6O3S2 MolecularWeight: 464.52014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H16N6O3S2/c1-30-14-7-4-6-13(12-14)22-20-21(24-16-9-3-2-8-15(16)23-20)27-32(28,29)18-11-5-10-17-19(18)26-31-25-17/h2-12H,1H3,(H,22,23)(H,24,27)