ethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate

Systemtic Name: ethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate Openeye Name: ethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoate CAS Name: 3-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-2-iodobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodobenzoate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoic acid ethyl ester Formula: C16H17IN4O5S MolecularWeight: 504.29945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17IN4O5S/c1-4-26-14(22)11-6-5-7-12(13(11)17)27(24,25)21-16(23)20-15-18-9(2)8-10(3)19-15/h5-8H,4H2,1-3H3,(H2,18,19,20,21,23)