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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2,4,6-trinitrophenyl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-(2,4,6-trinitroanilino)benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-(2,4,6-trinitroanilino)benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-(2,4,6-trinitroanilino)benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-(2,4,6-trinitroanilino)benzenesulfonamide Formula: C18H15N7O10S MolecularWeight: 521.4176

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

InChI

InChI=1S/C18H15N7O10S/c1-34-16-9-15(20-18(21-16)35-2)22-36(32,33)12-5-3-10(4-6-12)19-17-13(24(28)29)7-11(23(26)27)8-14(17)25(30)31/h3-9,19H,1-2H3,(H,20,21,22)