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CHEBI:83512 - 2-aminosulfonyl-benzoic acid methyl ester

ChEBI IDCHEBI:83512
ChEBI Name2-aminosulfonyl-benzoic acid methyl ester
Stars
DefinitionA benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl.
Last Modified3 March 2015
DownloadsMolfile
FormulaC8H9NO4S
Net Charge0
Average Mass215.230
Monoisotopic Mass215.02523
SMILESCOC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKeyVSOOBQALJVLTBH-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
2-aminosulfonyl-benzoic acid methyl ester (CHEBI:83512) has role marine xenobiotic metabolite (CHEBI:83399)
2-aminosulfonyl-benzoic acid methyl ester (CHEBI:83512) is a benzoate ester (CHEBI:36054)
2-aminosulfonyl-benzoic acid methyl ester (CHEBI:83512) is a methyl ester (CHEBI:25248)
2-aminosulfonyl-benzoic acid methyl ester (CHEBI:83512) is a sulfonamide (CHEBI:35358)
IUPAC Name 
methyl 2-sulfamoylbenzoate
Synonyms  Source
2-(methoxycarbonyl)benzenesulphonamideChEBI
2-sulfamoylbenzoic acid methyl esterChemIDplus
methyl o-sulphamoylbenzoateChemIDplus
2-methoxycarbonylphenylsulfonamideChEBI
2-(aminosulfonyl)benzoic acid methyl esterChemIDplus
Registry NumbersSources
Reaxys:2728611Reaxys
CAS:57683-71-3ChemIDplus
CAS:57683-71-3NIST Chemistry WebBook