Lansoprazole sulfone

Properties Image MNX_ID MNXM127222 reference hmdb:HMDB0014009 formula C16H14F3N3O3S global charge 0 mol weight 385.367 InChIKey TVMJMCGRSSSSDJ-UHFFFAOYSA-N InChI InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) SMILES CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)(=O)C1=NC2=C(C=CC=C2)N1 MNX internals InChI (mnx) InChI=1/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) SMILES (mnx) [CH3:1][C:10]1=[C:14]([O:25][CH2:9][C:16]([F:17])([F:18])[F:19])[CH:6]=[CH:7][N:20]=[C:13]1[CH2:8][S:26]([C:15]1=[N:21][C:11]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:12]2[NH:22]1)(=[O:23])=[O:24]

Parent-child relations graph

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