methyl 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate

Systemtic Name: methyl 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate Openeye Name: methyl 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoate CAS Name: 3-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]-2-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodobenzoate Traditional Name: 3-[(4,6-dimethoxy-s-triazin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoic acid methyl ester Formula: C14H14IN5O7S MolecularWeight: 523.25973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14IN5O7S/c1-25-10(21)7-5-4-6-8(9(7)15)28(23,24)20-12(22)16-11-17-13(26-2)19-14(18-11)27-3/h4-6H,1-3H3,(H2,16,17,18,19,20,22)