Y0M

8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

Created:	2022-12-20
Last modified:	2024-09-27

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1 entries where Y0M is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	12

2D diagram of Y0M

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Chemical Component Summary
Name	8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
Systematic Name (OpenEye OEToolkits)	8-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride
Formula	C₁₄ H₁₃ F N₂ O₇ S₂
Molecular Weight	404.391
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O
SMILES	CACTVS	3.385	COc1ncccc1N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	COc1c(cccn1)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F
Canonical SMILES	CACTVS	3.385	COc1ncccc1N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1c(cccn1)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F
InChI	InChI	1.06	InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3
InChIKey	InChI	1.06	WCROSRZUKBYAQZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156513160

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.