N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitropyridin-4-yl)amino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitropyridin-4-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitro-4-pyridyl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(3,5-dinitro-4-pyridinyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitropyridin-4-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitro-4-pyridyl)amino]benzenesulfonamide Formula: C17H15N7O8S MolecularWeight: 477.4081

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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=NC=C3[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=NC=C3[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N7O8S/c1-31-15-7-14(20-17(21-15)32-2)22-33(29,30)11-5-3-10(4-6-11)19-16-12(23(25)26)8-18-9-13(16)24(27)28/h3-9H,1-2H3,(H,18,19)(H,20,21,22)