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NL7

Summary
Name:4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:C12 H12 N2 O6 S2
Formal charge:0
Formula weight:344.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
OpenEye OEToolkits2.0.74-[(5-methoxypyridin-3-yl)sulfamoyl]benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O
InChIInChI1.03InChI=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)
InChIKeyInChI1.03PNZGKLKJTVFOSH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cncc(N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O)c1
SMILESCACTVS3.385COc1cncc(N[S](=O)(=O)c2ccc(cc2)[S](O)(=O)=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O

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數據於2024-07-17公開中

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