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NX4

Summary
Name:5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
Formula:C20 H15 Cl2 N O6 S3
Formal charge:0
Formula weight:532.437 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
OpenEye OEToolkits1.7.05-[[3-[(3,4-dichlorophenyl)methylsulfanyl]thiophen-2-yl]carbonylsulfamoyl]-2-methoxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2
SMILES_CANONICALCACTVS3.370COc1ccc(cc1C(O)=O)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3
SMILESCACTVS3.370COc1ccc(cc1C(O)=O)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl
SMILESOpenEye OEToolkits1.7.0COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl
InChIInChI1.03InChI=1S/C20H15Cl2NO6S3/c1-29-16-5-3-12(9-13(16)20(25)26)32(27,28)23-19(24)18-17(6-7-30-18)31-10-11-2-4-14(21)15(22)8-11/h2-9H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyInChI1.03HBYORZQNJPQOQI-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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