N-[3-[(2-methoxy-5-methyl-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(2-methoxy-5-methyl-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(2-methoxy-5-methyl-anilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(2-methoxy-5-methylanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(2-methoxy-5-methylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(2-methoxy-5-methyl-anilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C22H18N6O3S2 MolecularWeight: 478.54672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O3S2/c1-13-10-11-18(31-2)17(12-13)25-21-22(24-15-7-4-3-6-14(15)23-21)28-33(29,30)19-9-5-8-16-20(19)27-32-26-16/h3-12H,1-2H3,(H,23,25)(H,24,28)