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

Systemtic Name: N-[3-[(4-phenylmethoxyphenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(4-benzyloxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(4-phenylmethoxyanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(4-phenylmethoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(4-benzoxyanilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C27H20N6O3S2 MolecularWeight: 540.6161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC6=NSN=C65

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC6=NSN=C65

InChI

InChI=1S/C27H20N6O3S2/c34-38(35,24-12-6-11-23-25(24)32-37-31-23)33-27-26(29-21-9-4-5-10-22(21)30-27)28-19-13-15-20(16-14-19)36-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,28,29)(H,30,33)