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Y0M

Summary
Name:8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
Formula:C14 H13 F N2 O7 S2
Formal charge:0
Formula weight:404.391 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride
OpenEye OEToolkits2.0.78-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O
InChIInChI1.06InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3
InChIKeyInChI1.06WCROSRZUKBYAQZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ncccc1N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O
SMILESCACTVS3.385COc1ncccc1N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1c(cccn1)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F
SMILESOpenEye OEToolkits2.0.7COc1c(cccn1)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F

222624

数据于2024-07-17公开中

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