YNF

~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide

Created:	2023-12-06
Last modified:	2024-10-16

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2 entries where YNF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	6

2D diagram of YNF

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Chemical Component Summary
Name	~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide
Formula	C₁₇ H₂₅ Cl N₂ O₃ S₂
Molecular Weight	404.975
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCNC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	CCCCNC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N
InChI	InChI	1.06	InChI=1S/C17H25ClN2O3S2/c1-2-3-9-20-17(21)13-10-16(25(19,22)23)14(18)11-15(13)24-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKey	InChI	1.06	WZHPNNQXMINMAU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4451500
PubChem	126509009
ChEMBL	CHEMBL4451500

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.