N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitrobenzofurazan-4-yl)amino]benzenesulfonamide Formula: C18H14N8O9S MolecularWeight: 518.41696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=NON=C34)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=NON=C34)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H14N8O9S/c1-33-14-8-13(20-18(21-14)34-2)24-36(31,32)10-5-3-9(4-6-10)19-15-11(25(27)28)7-12(26(29)30)16-17(15)23-35-22-16/h3-8,19H,1-2H3,(H,20,21,24)