(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane

Properties Image MNX_ID MNXM170035 reference chebi:125055 formula C22H24N4O3S global charge 0 mol weight 424.526 InChIKey YKIBEPHUZNWDRX-RLAPIPATSA-N InChI InChI=1S/C22H24N4O3S/c1-25-13-21(23-14-25)30(27,28)26-11-19-22(20(12-26)24-19)16-8-6-15(7-9-16)17-4-3-5-18(10-17)29-2/h3-10,13-14,19-20,22,24H,11-12H2,1-2H3/t19-,20+,22? SMILES COC1=CC=CC(C2=CC=C(C3[C@@H]4CN(S(=O)(=O)C5=CN(C)C=N5)C[C@H]3N4)C=C2)=C1 MNX internals InChI (mnx) InChI=1/C22H24N4O3S/c1-25-13-21(23-14-25)30(27,28)26-11-19-22(20(12-26)24-19)16-8-6-15(7-9-16)17-4-3-5-18(10-17)29-2/h3-10,13-14,19-20,22,24H,11-12H2,1-2H3/t19-,20+,22? SMILES (mnx) [CH3:1][N:25]1[CH:13]=[C:21]([S:30]([N:26]2[CH2:11][C@H:19]3[CH:22]([C:16]4=[CH:9][CH:7]=[C:15]([C:17]5=[CH:10][C:18]([O:29][CH3:2])=[CH:5][CH:3]=[CH:4]5)[CH:6]=[CH:8]4)[C@@H:20]([CH2:12]2)[NH:24]3)(=[O:27])=[O:28])[N:23]=[CH:14]1

Parent-child relations graph

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