N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methyl-3,5-dinitro-benzamide Formula: C20H18N6O7S MolecularWeight: 486.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O7S/c1-11-8-19(22-13(3)21-11)24-34(32,33)16-6-4-15(5-7-16)23-20(27)14-9-17(25(28)29)12(2)18(10-14)26(30)31/h4-10H,1-3H3,(H,23,27)(H,21,22,24)