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2BI

Summary
Name:2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Formula:C10 H7 Cl3 N2 O3 S
Formal charge:0
Formula weight:341.598 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
OpenEye OEToolkits1.7.62,4,5-tris(chloranyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc1noc(c1)C)c2cc(Cl)c(Cl)cc2Cl
InChIInChI1.03InChI=1S/C10H7Cl3N2O3S/c1-5-2-10(14-18-5)15-19(16,17)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,15)
InChIKeyInChI1.03HFFXLYHRNRKAPM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1onc(N[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
SMILESCACTVS3.370Cc1onc(N[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl
SMILESOpenEye OEToolkits1.7.6Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl

222415

數據於2024-07-10公開中

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