N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-methyl-5,7-dinitro-quinolin-8-yl)amino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-methyl-5,7-dinitro-quinolin-8-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-methyl-5,7-dinitro-8-quinolyl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(2-methyl-5,7-dinitro-8-quinolinyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-methyl-5,7-dinitroquinolin-8-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(2-methyl-5,7-dinitro-8-quinolyl)amino]benzenesulfonamide Formula: C22H19N7O8S MolecularWeight: 541.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=NC(=N4)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=NC(=N4)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N7O8S/c1-12-4-9-15-16(28(30)31)10-17(29(32)33)21(20(15)23-12)24-13-5-7-14(8-6-13)38(34,35)27-18-11-19(36-2)26-22(25-18)37-3/h4-11,24H,1-3H3,(H,25,26,27)