NL7

4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

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

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count12
2D diagram of NL7

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Chemical Component Summary

Name4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)4-[(5-methoxypyridin-3-yl)sulfamoyl]benzenesulfonic acid
FormulaC12 H12 N2 O6 S2
Molecular Weight344.363
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O
SMILESCACTVS3.385COc1cncc(N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O)c1
SMILESOpenEye OEToolkits2.0.7COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
Canonical SMILESCACTVS3.385 COc1cncc(N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O)c1
Canonical SMILESOpenEye OEToolkits2.0.7 COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
InChIInChI1.03 InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
InChIKeyInChI1.03 PNZGKLKJTVFOSH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 145994352