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

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(isopropylamino)-3,5-dinitro-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(isopropylamino)-3,5-dinitro-benzamide Formula: C22H23N7O7S MolecularWeight: 529.52572

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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(=C(C(=C3)[N+](=O)[O-])NC(C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O7S/c1-12(2)23-20-18(28(31)32)10-15(11-19(20)29(33)34)21(30)26-16-5-7-17(8-6-16)37(35,36)27-22-24-13(3)9-14(4)25-22/h5-12,23H,1-4H3,(H,26,30)(H,24,25,27)