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

Systemtic Name: methyl 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate Openeye Name: methyl 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoate CAS Name: 3-[[[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]-2-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-2-iodobenzoate Traditional Name: 3-[(4,6-dimethyl-s-triazin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoic acid methyl ester Formula: C14H14IN5O5S MolecularWeight: 491.26093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2I)C(=O)OC)C

Isomeric SMILES

CC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2I)C(=O)OC)C

InChI

InChI=1S/C14H14IN5O5S/c1-7-16-8(2)18-13(17-7)19-14(22)20-26(23,24)10-6-4-5-9(11(10)15)12(21)25-3/h4-6H,1-3H3,(H2,16,17,18,19,20,22)