2-(acetyloxymethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-(acetyloxymethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-(acetoxymethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-(acetyloxymethyl)-6-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-(acetyloxymethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-(acetoxymethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C17H18N4O9S MolecularWeight: 454.41122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C(=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(C(=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)C(=O)O

InChI

InChI=1S/C17H18N4O9S/c1-9(22)30-8-10-5-4-6-11(14(10)15(23)24)31(26,27)21-17(25)20-16-18-12(28-2)7-13(19-16)29-3/h4-7H,8H2,1-3H3,(H,23,24)(H2,18,19,20,21,25)