WL7

4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide

Created:	2020-10-30
Last modified:	2020-11-11

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2 entries where WL7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of WL7

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Chemical Component Summary
Name	4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-azanyl-~{N}-(2-hydroxyethyl)-~{N}-methyl-benzenesulfonamide
Formula	C₉ H₁₄ N₂ O₃ S
Molecular Weight	230.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(c1)N)S(N(C)CCO)(=O)=O
SMILES	CACTVS	3.385	CN(CCO)[S](=O)(=O)c1ccc(N)cc1
SMILES	OpenEye OEToolkits	2.0.7	CN(CCO)S(=O)(=O)c1ccc(cc1)N
Canonical SMILES	CACTVS	3.385	CN(CCO)[S](=O)(=O)c1ccc(N)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CCO)S(=O)(=O)c1ccc(cc1)N
InChI	InChI	1.03	InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3
InChIKey	InChI	1.03	IFBDYRCQPHERQI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	756041

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.