UVA

N-methyl-2-(methylsulfonyl)aniline

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

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8 entries where UVA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of UVA

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Chemical Component Summary
Name	N-methyl-2-(methylsulfonyl)aniline
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-2-methylsulfonyl-aniline
Formula	C₈ H₁₁ N O₂ S
Molecular Weight	185.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(S(C)(=O)=O)c(NC)cc1
SMILES	CACTVS	3.385	CNc1ccccc1[S](C)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CNc1ccccc1S(=O)(=O)C
Canonical SMILES	CACTVS	3.385	CNc1ccccc1[S](C)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNc1ccccc1S(=O)(=O)C
InChI	InChI	1.03	InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3
InChIKey	InChI	1.03	YLDKGNWSSXYUAH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	14196351

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.