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NLV

Summary
Name:4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:C11 H9 Cl N2 O5 S2
Formal charge:0
Formula weight:348.783 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
OpenEye OEToolkits2.0.74-[(6-chloranylpyridin-2-yl)sulfamoyl]benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=O)=O
InChIInChI1.03InChI=1S/C11H9ClN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
InChIKeyInChI1.03AOXDXPJHIZMZOS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)n2
SMILESCACTVS3.385O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)n2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O

227111

数据于2024-11-06公开中

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