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CHEBI:122117 - 3-(3-methoxyphenyl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester

ChEBI IDCHEBI:122117
ChEBI Name3-(3-methoxyphenyl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester
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DownloadsMolfile
FormulaC22H24N2O6S
Net Charge0
Average Mass444.509
Monoisotopic Mass444.13551
SMILESCOc1cccc(C=CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C22H24N2O6S/c1-29-19-6-4-5-17(15-19)7-12-22(26)30-16-21(25)23-18-8-10-20(11-9-18)31(27,28)24-13-2-3-14-24/h4-12,15H,2-3,13-14,16H2,1H3,(H,23,25)
InChIKeyJYYPSYNMAPZBIT-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)
3-(3-methoxyphenyl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester (CHEBI:122117) is a hydroxycinnamic acid (CHEBI:24689)
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LSM-33560LINCS