JFY

N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide

Created:	2018-09-10
Last modified:	2018-10-10

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1 entries where JFY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of JFY

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Chemical Component Summary
Name	N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[(2~{S})-butan-2-yl]phenyl]methanesulfonamide
Formula	C₁₁ H₁₇ N O₂ S
Molecular Weight	227.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(C(CC)C)ccc(c1)NS(C)(=O)=O
SMILES	CACTVS	3.385	CC[CH](C)c1ccc(N[S](C)(=O)=O)cc1
SMILES	OpenEye OEToolkits	2.0.6	CCC(C)c1ccc(cc1)NS(=O)(=O)C
Canonical SMILES	CACTVS	3.385	CC[C@H](C)c1ccc(N[S](C)(=O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C
InChI	InChI	1.03	InChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)12-15(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1
InChIKey	InChI	1.03	VJWRIEFAIWFTHG-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	669035

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.