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8JR

Summary
Name:2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
Formula:C18 H14 F N O5 S
Formal charge:0
Formula weight:375.371 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)
InChIKeyInChI1.03GBWOMBQVUCUIGY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cccc(C(O)=O)c3F
SMILESCACTVS3.385COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cccc(C(O)=O)c3F
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O
SMILESOpenEye OEToolkits2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O

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数据于2024-07-17公开中

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