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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5-methoxy-2,6-dinitro-pyridin-3-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5-methoxy-2,6-dinitro-3-pyridyl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(5-methoxy-2,6-dinitro-3-pyridinyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5-methoxy-2,6-dinitropyridin-3-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5-methoxy-2,6-dinitro-3-pyridyl)amino]benzenesulfonamide Formula: C18H17N7O9S MolecularWeight: 507.43408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C(=C1)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(N=C(C(=C1)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O9S/c1-32-13-8-12(16(24(26)27)22-17(13)25(28)29)19-10-4-6-11(7-5-10)35(30,31)23-14-9-15(33-2)21-18(20-14)34-3/h4-9,19H,1-3H3,(H,20,21,23)