NLJ

4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

Created:	2019-05-20
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of NLJ

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Chemical Component Summary
Name	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzenesulfonic acid
Formula	C₁₂ H₁₂ N₂ O₆ S₂
Molecular Weight	344.363
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O
SMILES	CACTVS	3.385	COc1ncccc1N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
Canonical SMILES	CACTVS	3.385	COc1ncccc1N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
InChIKey	InChI	1.03	YXYLOWSJBFRQDN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145994354

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