1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone

Properties Image MNX_ID MNXM338796 reference chebi:128267 formula C21H24N2O4S global charge 0 mol weight 400.5 InChIKey JZJDAFMFJLEAEU-LQWHRVPQSA-N InChI InChI=1S/C21H24N2O4S/c1-3-20(25)23-17-12-22(28(26,27)19-11-7-4-8-14(19)2)16-10-6-5-9-15(16)21(17)18(23)13-24/h4-11,17-18,21,24H,3,12-13H2,1-2H3/t17-,18+,21+/m1/s1 SMILES CCC(=O)N1[C@@H]2CN(S(=O)(=O)C3=CC=CC=C3C)C3=CC=CC=C3[C@@H]2[C@@H]1CO MNX internals InChI (mnx) InChI=1/C21H24N2O4S/c1-3-20(25)23-17-12-22(28(26,27)19-11-7-4-8-14(19)2)16-10-6-5-9-15(16)21(17)18(23)13-24/h4-11,17-18,21,24H,3,12-13H2,1-2H3/t17-,18+,21+/m1/s1 SMILES (mnx) [CH3:1][CH2:3][C:20]([N:23]1[C@@H:17]2[CH2:12][N:22]([S:28]([C:19]3=[CH:11][CH:7]=[CH:4][CH:8]=[C:14]3[CH3:2])(=[O:26])=[O:27])[C:16]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:15]3[C@@H:21]2[C@@H:18]1[CH2:13][OH:24])=[O:25]

Parent-child relations graph

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