(1S,5R)-3-(2-methoxyphenyl)sulfonyl-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Properties Image MNX_ID MNXM169997 reference chebi:125008 formula C25H26N2O3S global charge 0 mol weight 434.561 InChIKey XSJJKAVWGHVFMW-OFFJZUQKSA-N InChI InChI=1S/C25H26N2O3S/c1-17-7-3-4-8-20(17)18-11-13-19(14-12-18)25-21-15-27(16-22(25)26-21)31(28,29)24-10-6-5-9-23(24)30-2/h3-14,21-22,25-26H,15-16H2,1-2H3/t21-,22+,25? SMILES COC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2N[C@H](C1)C2C1=CC=C(C2=CC=CC=C2C)C=C1 MNX internals InChI (mnx) InChI=1/C25H26N2O3S/c1-17-7-3-4-8-20(17)18-11-13-19(14-12-18)25-21-15-27(16-22(25)26-21)31(28,29)24-10-6-5-9-23(24)30-2/h3-14,21-22,25-26H,15-16H2,1-2H3/t21-,22+,25? SMILES (mnx) [CH3:1][C:17]1=[CH:7][CH:3]=[CH:4][CH:8]=[C:20]1[C:18]1=[CH:12][CH:14]=[C:19]([CH:25]2[C@@H:21]3[CH2:15][N:27]([S:31]([C:24]4=[CH:10][CH:6]=[CH:5][CH:9]=[C:23]4[O:30][CH3:2])(=[O:28])=[O:29])[CH2:16][C@H:22]2[NH:26]3)[CH:13]=[CH:11]1

Parent-child relations graph

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