CHEBI:105167 - 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester

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ChEBI Name 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
ChEBI ID CHEBI:105167
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H15NO4S2
Net Charge 0
Average Mass 289.374
Monoisotopic Mass 289.04425
InChI InChI=1S/C11H15NO4S2/c1-16-11(13)9-7-5-3-4-6-8(7)17-10(9)12-18(2,14)15/h12H,3-6H2,1-2H3
InChIKey FRIOXYPSVNXEJK-UHFFFAOYSA-N
SMILES COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (CHEBI:105167) is a thiophenecarboxylic acid (CHEBI:48436)
Manual Xref Database
LSM-16530 LINCS
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