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CHEBI:114869 - 4-methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid

ChEBI IDCHEBI:114869
ChEBI Name4-methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid
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DownloadsMolfile
FormulaC23H23NO5S
Net Charge0
Average Mass425.506
Monoisotopic Mass425.12969
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO5S/c1-29-21-13-12-20(23(25)26)16-22(21)30(27,28)24(17-19-10-6-3-7-11-19)15-14-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,25,26)
InChIKeyHSQBDHJDOYWBQV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid (CHEBI:114869) is a methoxybenzoic acid (CHEBI:25238)
Manual XrefsDatabases
LSM-26331LINCS