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

Properties Image MNX_ID MNXM340839 reference chebi:109313 formula C22H22F4N2O5S global charge 0 mol weight 502.486 InChIKey IDFOBVTYXQNKLI-UHFFFAOYSA-N 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) SMILES O=C(COC(=O)C1CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1)NCC1=CC=C(F)C=C1 MNX internals InChI (mnx) InChI=1/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) SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:19]([S:34]([N:28]2[CH2:11][CH2:9][CH:16]([C:21](=[O:30])[O:33][CH2:14][C:20](=[N:27][CH2:13][C:15]3=[CH:6][CH:8]=[C:17]([F:23])[CH:7]=[CH:5]3)[OH:29])[CH2:10][CH2:12]2)(=[O:31])=[O:32])[C:18]([C:22]([F:24])([F:25])[F:26])=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0