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

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ChEBI Name 2-aminosulfonyl-benzoic acid methyl ester
ChEBI ID CHEBI:83512
Definition A benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H9NO4S
Net Charge 0
Average Mass 215.22600
Monoisotopic Mass 215.025
InChI InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKey VSOOBQALJVLTBH-UHFFFAOYSA-N
SMILES COC(=O)c1ccccc1S(N)(=O)=O
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 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 Sources
2-(aminosulfonyl)benzoic acid methyl ester ChemIDplus
2-(methoxycarbonyl)benzenesulphonamide ChEBI
2-methoxycarbonylphenylsulfonamide ChEBI
2-sulfamoylbenzoic acid methyl ester ChemIDplus
methyl o-sulphamoylbenzoate ChemIDplus
Registry Numbers Types Sources
2728611 Reaxys Registry Number Reaxys
57683-71-3 CAS Registry Number ChemIDplus
57683-71-3 CAS Registry Number NIST Chemistry WebBook
Last Modified
03 March 2015