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CHEBI:108018 - 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester

ChEBI IDCHEBI:108018
ChEBI Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC23H22ClF3N2O7S
Net Charge0
Average Mass562.950
Monoisotopic Mass562.07883
SMILESO=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H22ClF3N2O7S/c24-17-3-1-15(23(25,26)27)11-18(17)28-21(30)13-36-22(31)14-5-7-29(8-6-14)37(32,33)16-2-4-19-20(12-16)35-10-9-34-19/h1-4,11-12,14H,5-10,13H2,(H,28,30)
InChIKeyQDQPCHOOCBJMEL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester (CHEBI:108018) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual XrefsDatabases
LSM-19395LINCS