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CHEBI:113068 - 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester

ChEBI IDCHEBI:113068
ChEBI Name4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
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DownloadsMolfile
FormulaC23H22N4O6S
Net Charge0
Average Mass482.518
Monoisotopic Mass482.12601
SMILESCc1ccc(C(=O)OCC(=O)C(C#N)c2nc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H22N4O6S/c1-15-6-7-16(12-21(15)34(30,31)27-8-10-32-11-9-27)23(29)33-14-20(28)17(13-24)22-25-18-4-2-3-5-19(18)26-22/h2-7,12,17H,8-11,14H2,1H3,(H,25,26)
InChIKeyZOPPPGUCZLOTJV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester (CHEBI:113068) is a benzoate ester (CHEBI:36054)
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