4-[[4-(benzimidazol-1-ylcarbonyl)-2,6-dinitro-phenyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

Systemtic Name: 4-[[4-(benzimidazol-1-ylcarbonyl)-2,6-dinitro-phenyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide Openeye Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitro-anilino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide CAS Name: 4-[4-[1-benzimidazolyl(oxo)methyl]-2,6-dinitroanilino]-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitroanilino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide Traditional Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitro-anilino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide Formula: C26H20N8O9S MolecularWeight: 620.5502

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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(C=C3[N+](=O)[O-])C(=O)N4C=NC5=CC=CC=C54)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])C(=O)N4C=NC5=CC=CC=C54)[N+](=O)[O-])OC

InChI

InChI=1S/C26H20N8O9S/c1-42-23-13-22(29-26(30-23)43-2)31-44(40,41)17-9-7-16(8-10-17)28-24-20(33(36)37)11-15(12-21(24)34(38)39)25(35)32-14-27-18-5-3-4-6-19(18)32/h3-14,28H,1-2H3,(H,29,30,31)