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

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide Formula: C19H16N6O7S MolecularWeight: 472.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O7S/c1-11-7-12(2)21-19(20-11)23-33(31,32)17-5-3-14(4-6-17)22-18(26)13-8-15(24(27)28)10-16(9-13)25(29)30/h3-10H,1-2H3,(H,22,26)(H,20,21,23)