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

Systemtic Name: ethyl 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H16IN5O7S MolecularWeight: 537.28631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC)I

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC)I

InChI

InChI=1S/C15H16IN5O7S/c1-4-28-11(22)8-6-5-7-9(10(8)16)29(24,25)21-13(23)17-12-18-14(26-2)20-15(19-12)27-3/h5-7H,4H2,1-3H3,(H2,17,18,19,20,21,23)