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LSM-10617

PropertiesImage
MNX_IDMNXM528153 Image of MNXM528153
referencechebi:99238
formulaC20H19FN2O3S
global charge0
mol weight386.448
InChIKeyCRECGCTYSBAAAJ-XUVXKRRUSA-N
InChIInChI=1S/C20H19FN2O3S/c1-2-4-14-7-9-15(10-8-14)20-18(12-22)23(19(20)13-24)27(25,26)17-6-3-5-16(21)11-17/h2-11,18-20,24H,13H2,1H3/t18-,19+,20+/m0/s1
SMILESCC=CC1=CC=C([C@H]2[C@@H](CO)N(S(=O)(=O)C3=CC=CC(F)=C3)[C@H]2C#N)C=C1
MNX internals
InChI (mnx)InChI=1/C20H19FN2O3S/c1-2-4-14-7-9-15(10-8-14)20-18(12-22)23(19(20)13-24)27(25,26)17-6-3-5-16(21)11-17/h2-11,18-20,24H,13H2,1H3/b4-2?/t18-,19+,20+/m0/s1 Image of MNXM528153
SMILES (mnx)[CH3:1][CH:2]=[CH:4][C:14]1=[CH:8][CH:10]=[C:15]([C@@H:20]2[C@H:18]([C:12]#[N:22])[N:23]([S:27]([C:17]3=[CH:6][CH:3]=[CH:5][C:16]([F:21])=[CH:11]3)(=[O:25])=[O:26])[C@@H:19]2[CH2:13][OH:24])[CH:9]=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:99238
chebi:99238
CRECGCTYSBAAAJ-XUVXKRRUSA-N 		LSM-10617