2-[[4-(acetyloxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-(acetyloxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-(acetoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-(acetyloxymethyl)-6-methyl-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-(acetyloxymethyl)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-(acetoxymethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C16H16N4O7S MolecularWeight: 408.38584

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)O)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O7S/c1-9-7-11(8-27-10(2)21)18-15(17-9)19-16(24)20-28(25,26)13-6-4-3-5-12(13)14(22)23/h3-7H,8H2,1-2H3,(H,22,23)(H2,17,18,19,20,24)