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

Systemtic Name: 4-[[4-(benzimidazol-1-ylcarbonyl)-2,6-dinitro-phenyl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitro-anilino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide CAS Name: 4-[4-[1-benzimidazolyl(oxo)methyl]-2,6-dinitroanilino]-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitroanilino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitro-anilino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Formula: C26H20N8O7S MolecularWeight: 588.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)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-])C

Isomeric SMILES

CC1=CC(=NC(=N1)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-])C

InChI

InChI=1S/C26H20N8O7S/c1-15-11-16(2)29-26(28-15)31-42(40,41)19-9-7-18(8-10-19)30-24-22(33(36)37)12-17(13-23(24)34(38)39)25(35)32-14-27-20-5-3-4-6-21(20)32/h3-14,30H,1-2H3,(H,28,29,31)