MJ2

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Summary

Name:3,5-dimethylbenzenesulfonamide
Formula:C8 H11 N O2 S
Formal charge:0
Molecular weight:185.243 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73,5-dimethylbenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyInChI1.03BRPHYVPAIXLWED-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(C)cc(c1)[S](N)(=O)=O
SMILESCACTVS3.385Cc1cc(C)cc(c1)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1)S(=O)(=O)N)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1)S(=O)(=O)N)C
170172
PDB entries from 2020-10-21