Y0T

N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide

Created:	2022-12-20
Last modified:	2023-04-12

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1 entries where Y0T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	18

2D diagram of Y0T

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Chemical Component Summary
Name	N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-[4-[3,4-bis(oxidanyl)phenyl]sulfonylphenyl]ethyl]-3,4-bis(oxidanyl)benzenesulfonamide
Formula	C₂₀ H₁₉ N O₈ S₂
Molecular Weight	465.497
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1
SMILES	CACTVS	3.385	Oc1ccc(cc1O)[S](=O)(=O)NCCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1O)[S](=O)(=O)NCCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O
InChI	InChI	1.06	InChI=1S/C20H19NO8S2/c22-17-7-5-15(11-19(17)24)30(26,27)14-3-1-13(2-4-14)9-10-21-31(28,29)16-6-8-18(23)20(25)12-16/h1-8,11-12,21-25H,9-10H2
InChIKey	InChI	1.06	OBMHHGDFJPTOQJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167713129

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.