methyl 2-[(5-iodanyl-4,6-dimethyl-pyridin-2-yl)iminocarbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(5-iodanyl-4,6-dimethyl-pyridin-2-yl)iminocarbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(5-iodo-4,6-dimethyl-2-pyridyl)iminocarbamoylsulfamoyl]benzoate CAS Name: 2-[[(5-iodo-4,6-dimethyl-2-pyridinyl)azo-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-iodo-4,6-dimethylpyridin-2-yl)iminocarbamoylsulfamoyl]benzoate Traditional Name: 2-[(5-iodo-4,6-dimethyl-2-pyridyl)iminocarbamoylsulfamoyl]benzoic acid methyl ester Formula: C16H15IN4O5S MolecularWeight: 502.28357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1I)C)N=NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=C1I)C)N=NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H15IN4O5S/c1-9-8-13(18-10(2)14(9)17)19-20-16(23)21-27(24,25)12-7-5-4-6-11(12)15(22)26-3/h4-8H,1-3H3,(H,21,23)