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Y0P

Summary
Name:8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
Formula:C15 H13 F2 N O7 S2
Formal charge:0
Formula weight:421.393 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-[(3-fluoro-5-methoxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride
OpenEye OEToolkits2.0.78-[(3-fluoranyl-5-methoxy-phenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(cc(OC)c1)NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O
InChIInChI1.06InChI=1S/C15H13F2NO7S2/c1-23-11-7-9(16)6-10(8-11)18-27(21,22)13-3-2-12(26(17,19)20)14-15(13)25-5-4-24-14/h2-3,6-8,18H,4-5H2,1H3
InChIKeyInChI1.06MREMOMGGDIQWNC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(F)cc(N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O)c1
SMILESCACTVS3.385COc1cc(F)cc(N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(cc(c1)F)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F
SMILESOpenEye OEToolkits2.0.7COc1cc(cc(c1)F)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F

222624

数据于2024-07-17公开中

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