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W1I

Summary
Name:N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide
Formula:C8 H11 Br N2 O2 S
Formal charge:0
Formula weight:279.154 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide
OpenEye OEToolkits2.0.71-bromanyl-2-(dimethylsulfamoylamino)benzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1ccccc1NS(=O)(=O)N(C)C
InChIInChI1.06InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3
InChIKeyInChI1.06UCJZXZTXNXADJL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)[S](=O)(=O)Nc1ccccc1Br
SMILESCACTVS3.385CN(C)[S](=O)(=O)Nc1ccccc1Br
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)S(=O)(=O)Nc1ccccc1Br
SMILESOpenEye OEToolkits2.0.7CN(C)S(=O)(=O)Nc1ccccc1Br

225946

PDB entries from 2024-10-09

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