methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate

Systemtic Name: methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate Openeye Name: methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate CAS Name: 4-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate Traditional Name: 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoylmethyl]benzoic acid methyl ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H22N4O6S2/c1-14-12-15(2)23-21(22-14)25-33(29,30)19-10-8-18(9-11-19)24-32(27,28)13-16-4-6-17(7-5-16)20(26)31-3/h4-12,24H,13H2,1-3H3,(H,22,23,25)