2-[(5-chloranyl-4-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(5-chloranyl-4-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(5-chloro-4-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(5-chloro-4-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(5-chloro-4-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(5-chloro-4-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C13H11ClN4O6S MolecularWeight: 386.76764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1Cl)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=NC(=NC=C1Cl)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H11ClN4O6S/c1-24-10-8(14)6-15-12(16-10)17-13(21)18-25(22,23)9-5-3-2-4-7(9)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)