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MLS

Summary
Name:2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
Formula:C18 H15 F N2 O3 S
Formal charge:0
Formula weight:358.387 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
OpenEye OEToolkits2.0.72-fluoranyl-3-methyl-~{N}'-naphthalen-2-ylsulfonyl-benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(cc1ccccc1cc2)S(NNC(c3c(c(C)ccc3)F)=O)(=O)=O
InChIInChI1.03InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22)
InChIKeyInChI1.03DILVLVXPRQTRMP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F
SMILESCACTVS3.385Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2

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PDB entries from 2024-07-17

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