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

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ChEBI Name 4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester ChEBI ID CHEBI:104996 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22N4O5S Net Charge 0 Average Mass 406.458 Monoisotopic Mass 406.13109 InChI InChI=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) InChIKey OILMKIYBXZGMQM-UHFFFAOYSA-N SMILES CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester (CHEBI:104996) is a amidobenzoic acid (CHEBI:48470) Manual Xref Database LSM-16359 LINCS View more database links