N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[4-[4-morpholinyl(oxo)methyl]-2,6-dinitroanilino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[4-(morpholine-4-carbonyl)-2,6-dinitroanilino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]benzenesulfonamide Formula: C23H23N7O8S MolecularWeight: 557.53582

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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(C=C3[N+](=O)[O-])C(=O)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])C(=O)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N7O8S/c1-14-11-15(2)25-23(24-14)27-39(36,37)18-5-3-17(4-6-18)26-21-19(29(32)33)12-16(13-20(21)30(34)35)22(31)28-7-9-38-10-8-28/h3-6,11-13,26H,7-10H2,1-2H3,(H,24,25,27)