oxetan-2-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: oxetan-2-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: oxetan-2-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid 2-oxetanyl ester IUPAC Name: oxetan-2-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid oxetan-2-yl ester Formula: C17H18N4O6S MolecularWeight: 406.41302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3CCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3CCO3)C

InChI

InChI=1S/C17H18N4O6S/c1-10-9-11(2)19-16(18-10)20-17(23)21-28(24,25)13-6-4-3-5-12(13)15(22)27-14-7-8-26-14/h3-6,9,14H,7-8H2,1-2H3,(H2,18,19,20,21,23)