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

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methyl-5,7-dinitro-quinolin-8-yl)amino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methyl-5,7-dinitro-8-quinolyl)amino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[(2-methyl-5,7-dinitro-8-quinolinyl)amino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methyl-5,7-dinitroquinolin-8-yl)amino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methyl-5,7-dinitro-8-quinolyl)amino]benzenesulfonamide Formula: C22H19N7O6S MolecularWeight: 509.49456

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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=NC(=CC(=N4)C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O6S/c1-12-4-9-17-18(28(30)31)11-19(29(32)33)21(20(17)23-12)26-15-5-7-16(8-6-15)36(34,35)27-22-24-13(2)10-14(3)25-22/h4-11,26H,1-3H3,(H,24,25,27)