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

Systemtic Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Openeye Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-(isopropylamino)-3,5-dinitro-benzamide CAS Name: N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide IUPAC Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Traditional Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-(isopropylamino)-3,5-dinitro-benzamide Formula: C22H23N7O9S MolecularWeight: 561.52452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N7O9S/c1-12(2)23-20-16(28(31)32)9-13(10-17(20)29(33)34)21(30)24-14-5-7-15(8-6-14)39(35,36)27-18-11-19(37-3)26-22(25-18)38-4/h5-12,23H,1-4H3,(H,24,30)(H,25,26,27)