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56Q

Summary
Name:N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide
Formula:C11 H15 F N2 O4 S
Formal charge:0
Formula weight:290.311 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide
OpenEye OEToolkits1.9.2(2R)-2-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-methyl-amino]-N-oxidanyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C(NO)=O)(N(C)S(c1ccc(c(c1)C)F)(=O)=O)C
InChIInChI1.03InChI=1S/C11H15FN2O4S/c1-7-6-9(4-5-10(7)12)19(17,18)14(3)8(2)11(15)13-16/h4-6,8,16H,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyInChI1.03WVQNSSTZICUBDI-MRVPVSSYSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](N(C)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
SMILESCACTVS3.385C[CH](N(C)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO
SMILESOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(C)C(C)C(=O)NO

222415

數據於2024-07-10公開中

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