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

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(5,7-dinitroquinolin-8-yl)amino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(5,7-dinitro-8-quinolyl)amino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[(5,7-dinitro-8-quinolinyl)amino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(5,7-dinitroquinolin-8-yl)amino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(5,7-dinitro-8-quinolyl)amino]benzenesulfonamide Formula: C21H17N7O6S MolecularWeight: 495.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=C3N=CC=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=C3N=CC=C4)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H17N7O6S/c1-12-10-13(2)24-21(23-12)26-35(33,34)15-7-5-14(6-8-15)25-20-18(28(31)32)11-17(27(29)30)16-4-3-9-22-19(16)20/h3-11,25H,1-2H3,(H,23,24,26)