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

Systemtic Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodanyl-benzoate Openeye Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoate CAS Name: 3-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-2-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodobenzoate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-2-iodo-benzoic acid methyl ester Formula: C15H15IN4O5S MolecularWeight: 490.27287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15IN4O5S/c1-8-7-9(2)18-14(17-8)19-15(22)20-26(23,24)11-6-4-5-10(12(11)16)13(21)25-3/h4-7H,1-3H3,(H2,17,18,19,20,22)