methyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate

Systemtic Name: methyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate Openeye Name: methyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoate CAS Name: 3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-2-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-iodobenzoate Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoic acid methyl ester Formula: C15H15IN4O7S MolecularWeight: 522.27167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2I)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2I)C(=O)OC)OC

InChI

InChI=1S/C15H15IN4O7S/c1-25-10-7-11(26-2)18-14(17-10)19-15(22)20-28(23,24)9-6-4-5-8(12(9)16)13(21)27-3/h4-7H,1-3H3,(H2,17,18,19,20,22)