(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

Properties Image MNX_ID MNXM169875 reference chebi:128742 formula C31H33FN4O5S global charge 0 mol weight 592.693 InChIKey LFOOAYMMTLFPQJ-HHHXNRCGSA-N InChI InChI=1S/C31H33FN4O5S/c1-20-5-3-8-24(15-20)42(39,40)35-13-11-31(12-14-35)19-36(30(38)33-22-7-4-6-21(32)16-22)27(18-37)29-28(31)25-10-9-23(41-2)17-26(25)34-29/h3-10,15-17,27,34,37H,11-14,18-19H2,1-2H3,(H,33,38)/t27-/m1/s1 SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@@H](CO)N(C(=O)NC2=CC(F)=CC=C2)CC12CCN(S(=O)(=O)C1=CC=CC(C)=C1)CC2 MNX internals InChI (mnx) InChI=1/C31H33FN4O5S/c1-20-5-3-8-24(15-20)42(39,40)35-13-11-31(12-14-35)19-36(30(38)33-22-7-4-6-21(32)16-22)27(18-37)29-28(31)25-10-9-23(41-2)17-26(25)34-29/h3-10,15-17,27,34,37H,11-14,18-19H2,1-2H3,(H,33,38)/t27-/m1/s1 SMILES (mnx) [CH3:1][C:20]1=[CH:15][C:24]([S:42]([N:35]2[CH2:13][CH2:11][C:31]3([CH2:12][CH2:14]2)[CH2:19][N:36]([C:30](=[N:33][C:22]2=[CH:7][CH:4]=[CH:6][C:21]([F:32])=[CH:16]2)[OH:38])[C@H:27]([CH2:18][OH:37])[C:29]2=[C:28]3[C:25]3=[C:26]([CH:17]=[C:23]([O:41][CH3:2])[CH:9]=[CH:10]3)[NH:34]2)(=[O:39])=[O:40])=[CH:8][CH:3]=[CH:5]1

Parent-child relations graph

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