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

Systemtic Name: N-[3-[(4-methylphenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(4-methylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(4-methylanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(4-methylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(p-toluidino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H16N6O2S2 MolecularWeight: 448.52074

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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=CC5=NSN=C54

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O2S2/c1-13-9-11-14(12-10-13)22-20-21(24-16-6-3-2-5-15(16)23-20)27-31(28,29)18-8-4-7-17-19(18)26-30-25-17/h2-12H,1H3,(H,22,23)(H,24,27)