(1S,5R)-6-(benzenesulfonyl)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Properties Image MNX_ID MNXM170017 reference chebi:126518 formula C23H21FN2O2S global charge 0 mol weight 408.498 InChIKey XRNLWPODXOTNKN-AIZNXBIQSA-N InChI InChI=1S/C23H21FN2O2S/c24-19-12-10-17(11-13-19)16-6-8-18(9-7-16)23-21-14-25-15-22(23)26(21)29(27,28)20-4-2-1-3-5-20/h1-13,21-23,25H,14-15H2/t21-,22+,23? SMILES O=S(=O)(C1=CC=CC=C1)N1[C@@H]2CNC[C@H]1C2C1=CC=C(C2=CC=C(F)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C23H21FN2O2S/c24-19-12-10-17(11-13-19)16-6-8-18(9-7-16)23-21-14-25-15-22(23)26(21)29(27,28)20-4-2-1-3-5-20/h1-13,21-23,25H,14-15H2/t21-,22+,23? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:20]([S:29]([N:26]2[C@H:21]3[CH2:14][NH:25][CH2:15][C@@H:22]2[CH:23]3[C:18]2=[CH:9][CH:7]=[C:16]([C:17]3=[CH:11][CH:13]=[C:19]([F:24])[CH:12]=[CH:10]3)[CH:6]=[CH:8]2)(=[O:27])=[O:28])[CH:5]=[CH:3]1

Parent-child relations graph

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