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

Systemtic Name: ethyl 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-iodanyl-benzoate Openeye Name: ethyl 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-iodo-benzoate CAS Name: 2-[[[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]-4-iodobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-iodobenzoate Traditional Name: 2-[(4,6-dimethyl-s-triazin-2-yl)carbamoylsulfamoyl]-4-iodo-benzoic acid ethyl ester Formula: C15H16IN5O5S MolecularWeight: 505.28751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16IN5O5S/c1-4-26-13(22)11-6-5-10(16)7-12(11)27(24,25)21-15(23)20-14-18-8(2)17-9(3)19-14/h5-7H,4H2,1-3H3,(H2,17,18,19,20,21,23)