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

Systemtic Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-iodanyl-benzoate Openeye Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-iodo-benzoate CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-iodobenzoic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-iodobenzoate Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-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=C(C=CC(=C2)I)C(=O)OC)OC

Isomeric SMILES

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

InChI

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