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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitropyridin-2-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitro-2-pyridyl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(3,5-dinitro-2-pyridinyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitropyridin-2-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3,5-dinitro-2-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=C(C=N3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

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