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

Systemtic Name: 4-[[4-(benzimidazol-1-ylcarbonyl)-2,6-dinitro-phenyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitro-anilino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[4-[1-benzimidazolyl(oxo)methyl]-2,6-dinitroanilino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitroanilino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[4-(benzimidazole-1-carbonyl)-2,6-dinitro-anilino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C24H16N8O7S MolecularWeight: 560.49824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C24H16N8O7S/c33-23(30-14-27-18-4-1-2-5-19(18)30)15-12-20(31(34)35)22(21(13-15)32(36)37)28-16-6-8-17(9-7-16)40(38,39)29-24-25-10-3-11-26-24/h1-14,28H,(H,25,26,29)