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A1ATV

Summary
Name:N-{4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}acetamide
Formula:C15 H16 F N O5 S
Formal charge:0
Formula weight:341.355 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}acetamide
OpenEye OEToolkits2.0.7~{N}-[4-[[4-[fluoranyl-bis(oxidanyl)-$l^{4}-sulfanyl]oxyphenoxy]methyl]phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OS(F)(O)Oc1ccc(cc1)OCc1ccc(NC(C)=O)cc1
InChIInChI1.06InChI=1S/C15H16FNO5S/c1-11(18)17-13-4-2-12(3-5-13)10-21-14-6-8-15(9-7-14)22-23(16,19)20/h2-9,19-20H,10H2,1H3,(H,17,18)
InChIKeyInChI1.06MWDPOQXLINTELH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1ccc(COc2ccc(O[S](O)(O)F)cc2)cc1
SMILESCACTVS3.385CC(=O)Nc1ccc(COc2ccc(O[S](O)(O)F)cc2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1)COc2ccc(cc2)OS(O)(O)F
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1)COc2ccc(cc2)OS(O)(O)F

238582

數據於2025-07-09公開中

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