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8JO

Summary
Name:2-fluoranyl-5-[(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-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)18(21)22/h2-10,20H,1H3,(H,21,22)
InChIKeyInChI1.03JMNUWFAOQMRPRY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(c2ccccc12)[S](=O)(=O)Nc3ccc(F)c(c3)C(O)=O
SMILESCACTVS3.385COc1ccc(c2ccccc12)[S](=O)(=O)Nc3ccc(F)c(c3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F
SMILESOpenEye OEToolkits2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F

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PDB entries from 2024-07-17

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