CHEBI:109313 - 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester

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ChEBI Name 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester
ChEBI ID CHEBI:109313
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H22F4N2O5S
Net Charge 0
Average Mass 502.481
Monoisotopic Mass 502.11856
InChI InChI=1S/C22H22F4N2O5S/c23-17-7-5-15(6-8-17)13-27-20(29)14-33-21(30)16-9-11-28(12-10-16)34(31,32)19-4-2-1-3-18(19)22(24,25)26/h1-8,16H,9-14H2,(H,27,29)
InChIKey IDFOBVTYXQNKLI-UHFFFAOYSA-N
SMILES C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C(F)(F)F
ChEBI Ontology
Outgoing 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester (CHEBI:109313) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20711 LINCS
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