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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2,6-dinitro-4-piperidin-1-ylcarbonyl-phenyl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[2,6-dinitro-4-(piperidine-1-carbonyl)anilino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[2,6-dinitro-4-[oxo(1-piperidinyl)methyl]anilino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[2,6-dinitro-4-(piperidine-1-carbonyl)anilino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[2,6-dinitro-4-(piperidine-1-carbonyl)anilino]benzenesulfonamide Formula: C24H25N7O9S MolecularWeight: 587.5618

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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)N4CCCCC4)[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)N4CCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H25N7O9S/c1-39-21-14-20(26-24(27-21)40-2)28-41(37,38)17-8-6-16(7-9-17)25-22-18(30(33)34)12-15(13-19(22)31(35)36)23(32)29-10-4-3-5-11-29/h6-9,12-14,25H,3-5,10-11H2,1-2H3,(H,26,27,28)