N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-nitrobenzyl)sulfonylamino]benzenesulfonamide Formula: C19H19N5O8S2 MolecularWeight: 509.51286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N5O8S2/c1-31-18-11-17(20-19(21-18)32-2)23-34(29,30)15-9-7-14(8-10-15)22-33(27,28)12-13-5-3-4-6-16(13)24(25)26/h3-11,22H,12H2,1-2H3,(H,20,21,23)