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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-nitropyridin-2-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-nitro-2-pyridyl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(3-nitro-2-pyridinyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-nitropyridin-2-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-nitro-2-pyridyl)amino]benzenesulfonamide Formula: C17H16N6O6S MolecularWeight: 432.41054

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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=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O6S/c1-28-15-10-14(20-17(21-15)29-2)22-30(26,27)12-7-5-11(6-8-12)19-16-13(23(24)25)4-3-9-18-16/h3-10H,1-2H3,(H,18,19)(H,20,21,22)