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P7M

Summary
Name:N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
Synonyms:Tasisulam
Formula:C11 H6 Br Cl2 N O3 S2
Formal charge:0
Formula weight:415.11 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
OpenEye OEToolkits2.0.7~{N}-(5-bromanylthiophen-2-yl)sulfonyl-2,4-bis(chloranyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O
InChIInChI1.03InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
InChIKeyInChI1.03WWONFUQGBVOKOF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2
SMILESCACTVS3.385Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br

218853

PDB entries from 2024-04-24

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