aldesulfone

Properties Image MNX_ID MNXM161353 reference chebi:135651 formula C14H16N2O6S3 global charge 0 mol weight 404.491 InChIKey NEDPPCHNEOMTJV-UHFFFAOYSA-N InChI InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20) SMILES O=S(O)CNC1=CC=C(S(=O)(=O)C2=CC=C(NCS(=O)O)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20) SMILES (mnx) [CH:1]1=[CH:5][C:13]([S:25]([C:14]2=[CH:8][CH:4]=[C:12]([NH:16][CH2:10][S:24]([OH:19])=[O:20])[CH:3]=[CH:7]2)(=[O:21])=[O:22])=[CH:6][CH:2]=[C:11]1[NH:15][CH2:9][S:23]([OH:17])=[O:18]

Parent-child relations graph

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