1-[(1R,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone

Properties Image MNX_ID MNXM338785 reference chebi:127019 formula C22H23FN2O4S global charge 0 mol weight 430.501 InChIKey ZYQPXGZEYFFOJA-CNNODRBYSA-N InChI InChI=1S/C22H23FN2O4S/c23-16-6-2-4-8-20(16)30(28,29)24-12-18-22(15-5-1-3-7-17(15)24)19(13-26)25(18)21(27)11-14-9-10-14/h1-8,14,18-19,22,26H,9-13H2/t18-,19-,22+/m0/s1 SMILES O=C(CC1CC1)N1[C@@H](CO)[C@@H]2C3=CC=CC=C3N(S(=O)(=O)C3=CC=CC=C3F)C[C@@H]21 MNX internals InChI (mnx) InChI=1/C22H23FN2O4S/c23-16-6-2-4-8-20(16)30(28,29)24-12-18-22(15-5-1-3-7-17(15)24)19(13-26)25(18)21(27)11-14-9-10-14/h1-8,14,18-19,22,26H,9-13H2/t18-,19-,22+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:17]2[C:15](=[CH:5]1)[C@@H:22]1[C@H:18]([CH2:12][N:24]2[S:30]([C:20]2=[CH:8][CH:4]=[CH:2][CH:6]=[C:16]2[F:23])(=[O:28])=[O:29])[N:25]([C:21]([CH2:11][CH:14]2[CH2:9][CH2:10]2)=[O:27])[C@H:19]1[CH2:13][OH:26]

Parent-child relations graph

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