compound 0055409

Properties Image MNX_ID MNXM1174536 reference envipathM:...66fc39db4d30 formula C12H12N4O5S global charge 0 mol weight 324.318 InChIKey CFLHTJWFOGONJC-UHFFFAOYSA-N InChI InChI=1S/C12H12N4O5S/c1-6-4-7(5-17)15-12(14-6)16-22(20,21)9-3-2-8(13)10(18)11(9)19/h2-5,18-19H,13H2,1H3,(H,14,15,16) SMILES CC1=NC(NS(=O)(=O)C2=CC=C(N)C(O)=C2O)=NC(C=O)=C1 MNX internals InChI (mnx) InChI=1/C12H12N4O5S/c1-6-4-7(5-17)15-12(14-6)16-22(20,21)9-3-2-8(13)10(18)11(9)19/h2-5,18-19H,13H2,1H3,(H,14,15,16) SMILES (mnx) [CH3:1][C:6]1=[CH:4][C:7]([CH:5]=[O:17])=[N:15][C:12]([NH:16][S:22]([C:9]2=[C:11]([OH:19])[C:10]([OH:18])=[C:8]([NH2:13])[CH:2]=[CH:3]2)(=[O:20])=[O:21])=[N:14]1

Parent-child relations graph

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