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8JL

Summary
Name:4-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 OEToolkits2.0.64-fluoranyl-3-[(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)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22)
InChIKeyInChI1.03PRQVEVLBUCMWDD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cc(ccc3F)C(O)=O
SMILESCACTVS3.385COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cc(ccc3F)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O
SMILESOpenEye OEToolkits2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O

222624

数据于2024-07-17公开中

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