UVA

N-methyl-2-(methylsulfonyl)aniline

Created:2020-06-02
Last modified:  2020-06-17

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of UVA

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Chemical Component Summary

NameN-methyl-2-(methylsulfonyl)aniline
Systematic Name (OpenEye OEToolkits)~{N}-methyl-2-methylsulfonyl-aniline
FormulaC8 H11 N O2 S
Molecular Weight185.243
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(S(C)(=O)=O)c(NC)cc1
SMILESCACTVS3.385CNc1ccccc1[S](C)(=O)=O
SMILESOpenEye OEToolkits2.0.7CNc1ccccc1S(=O)(=O)C
Canonical SMILESCACTVS3.385 CNc1ccccc1[S](C)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CNc1ccccc1S(=O)(=O)C
InChIInChI1.03 InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3
InChIKeyInChI1.03 YLDKGNWSSXYUAH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 14196351