1-[(1S)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

Properties Image MNX_ID MNXM338844 reference chebi:129007 formula C25H29N3O5S global charge 0 mol weight 483.59 InChIKey RUACUVRYDBSGID-JOCHJYFZSA-N InChI InChI=1S/C25H29N3O5S/c1-17(30)28-16-25(10-12-27(13-11-25)34(31,32)19-6-4-3-5-7-19)23-20-9-8-18(33-2)14-21(20)26-24(23)22(28)15-29/h3-9,14,22,26,29H,10-13,15-16H2,1-2H3/t22-/m1/s1 SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@@H](CO)N(C(C)=O)CC12CCN(S(=O)(=O)C1=CC=CC=C1)CC2 MNX internals InChI (mnx) InChI=1/C25H29N3O5S/c1-17(30)28-16-25(10-12-27(13-11-25)34(31,32)19-6-4-3-5-7-19)23-20-9-8-18(33-2)14-21(20)26-24(23)22(28)15-29/h3-9,14,22,26,29H,10-13,15-16H2,1-2H3/t22-/m1/s1 SMILES (mnx) [CH3:1][C:17]([N:28]1[CH2:16][C:25]2([CH2:10][CH2:12][N:27]([S:34]([C:19]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)(=[O:31])=[O:32])[CH2:13][CH2:11]2)[C:23]2=[C:24]([C@H:22]1[CH2:15][OH:29])[NH:26][C:21]1=[C:20]2[CH:9]=[CH:8][C:18]([O:33][CH3:2])=[CH:14]1)=[O:30]

Parent-child relations graph

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