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CHEBI:111448 - 4-[[5-[(2,6-dichlorophenyl)sulfonylmethyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester

ChEBI IDCHEBI:111448
ChEBI Name4-[[5-[(2,6-dichlorophenyl)sulfonylmethyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC19H20Cl2N2O6S
Net Charge0
Average Mass475.350
Monoisotopic Mass474.04191
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1
InChIInChI=1S/C19H20Cl2N2O6S/c1-2-28-19(25)23-10-8-22(9-11-23)18(24)16-7-6-13(29-16)12-30(26,27)17-14(20)4-3-5-15(17)21/h3-7H,2,8-12H2,1H3
InChIKeyQZGMYCFITBDQMF-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-[[5-[(2,6-dichlorophenyl)sulfonylmethyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:111448) is a piperazinecarboxylic acid (CHEBI:48683)
Manual XrefsDatabases
LSM-22904LINCS