ODL

N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide

Created:	2022-04-27
Last modified:	2023-04-12

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1 entries where ODL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	18

2D diagram of ODL

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Chemical Component Summary
Name	N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[[4-[[3,4-bis(oxidanyl)phenyl]methyl]phenyl]methyl]benzenesulfonamide
Formula	C₂₀ H₁₉ N O₄ S
Molecular Weight	369.434
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1
SMILES	CACTVS	3.385	Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2)cc1O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3ccc(c(c3)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2)cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3ccc(c(c3)O)O
InChI	InChI	1.03	InChI=1S/C20H19NO4S/c22-19-11-10-17(13-20(19)23)12-15-6-8-16(9-7-15)14-21-26(24,25)18-4-2-1-3-5-18/h1-11,13,21-23H,12,14H2
InChIKey	InChI	1.03	QNXMAYYQTOPLQV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167713143

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.