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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[4-[4-morpholinyl(oxo)methyl]-2,6-dinitroanilino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[4-(morpholine-4-carbonyl)-2,6-dinitroanilino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]benzenesulfonamide Formula: C23H23N7O10S MolecularWeight: 589.53462

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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)N4CCOCC4)[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)N4CCOCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H23N7O10S/c1-38-20-13-19(25-23(26-20)39-2)27-41(36,37)16-5-3-15(4-6-16)24-21-17(29(32)33)11-14(12-18(21)30(34)35)22(31)28-7-9-40-10-8-28/h3-6,11-13,24H,7-10H2,1-2H3,(H,25,26,27)