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84Z

Summary
Name:methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate
Formula:C14 H12 Cl N O6 S2
Formal charge:0
Formula weight:389.831 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C14H12ClNO6S2/c1-22-14(17)10-7-13(24(16,20)21)11(15)8-12(10)23(18,19)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,20,21)
InChIKeyInChI1.06IGXGTYUIRLTUTM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O
SMILESCACTVS3.385COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N

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PDB entries from 2024-07-17

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