3-chloranyl-2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 3-chloranyl-2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 3-chloro-2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 3-chloro-2-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 3-chloro-2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 3-chloro-2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C14H13ClN4O6S MolecularWeight: 400.79422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=C2Cl)C(=O)O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=C2Cl)C(=O)O)OC

InChI

InChI=1S/C14H13ClN4O6S/c1-7-6-10(25-2)17-13(16-7)18-14(22)19-26(23,24)11-8(12(20)21)4-3-5-9(11)15/h3-6H,1-2H3,(H,20,21)(H2,16,17,18,19,22)