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O9A

Summary
Name:5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
Formula:C20 H19 F N2 O4 S
Formal charge:0
Formula weight:402.439 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
OpenEye OEToolkits2.0.75-ethoxy-2-fluoranyl-3-methyl-~{N}'-naphthalen-2-ylsulfonyl-benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(C(=O)NNS(c1cc2c(cc1)cccc2)(=O)=O)cc(OCC)cc(c3F)C
InChIInChI1.03InChI=1S/C20H19FN2O4S/c1-3-27-16-10-13(2)19(21)18(12-16)20(24)22-23-28(25,26)17-9-8-14-6-4-5-7-15(14)11-17/h4-12,23H,3H2,1-2H3,(H,22,24)
InChIKeyInChI1.03ZHPGBCFNKHBCKG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2
SMILESCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C
SMILESOpenEye OEToolkits2.0.7CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C

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PDB entries from 2024-07-17

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