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CHEBI:104996 - 4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:104996
ChEBI Name4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester
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DownloadsMolfile
FormulaC18H22N4O5S
Net Charge0
Average Mass406.464
Monoisotopic Mass406.13109
SMILESCCOC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cncn3)C2)cc1
InChIInChI=1S/C18H22N4O5S/c1-2-27-18(24)13-5-7-15(8-6-13)21-17(23)14-4-3-9-22(11-14)28(25,26)16-10-19-12-20-16/h5-8,10,12,14H,2-4,9,11H2,1H3,(H,19,20)(H,21,23)
InChIKeyOILMKIYBXZGMQM-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-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester (CHEBI:104996) is a amidobenzoic acid (CHEBI:48470)
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