(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171385 reference chebi:103034 formula C21H19FN2O3S global charge 0 mol weight 398.459 InChIKey UCQARJGLVBPITC-QHAWAJNXSA-N InChI InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21-/m1/s1 SMILES CCS(=O)(=O)N1[C@H](C#N)[C@@H](C2=CC=C(C#CC3=CC=CC=C3F)C=C2)[C@@H]1CO MNX internals InChI (mnx) InChI=1/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][S:28]([N:24]1[C@H:19]([C:13]#[N:23])[C@@H:21]([C:17]2=[CH:12][CH:9]=[C:15]([C:7]#[C:10][C:16]3=[CH:5][CH:3]=[CH:4][CH:6]=[C:18]3[F:22])[CH:8]=[CH:11]2)[C@@H:20]1[CH2:14][OH:25])(=[O:26])=[O:27]

Parent-child relations graph

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