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1T2

Summary
Name:5-chloranyl-3-[(4-methylsulfonylphenyl)carbonylamino]-1-benzofuran-2-carboxylic acid
Formula:C17 H12 Cl N O6 S
Formal charge:0
Formula weight:393.798 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-chloranyl-3-[(4-methylsulfonylphenyl)carbonylamino]-1-benzofuran-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H12ClNO6S/c1-26(23,24)11-5-2-9(3-6-11)16(20)19-14-12-8-10(18)4-7-13(12)25-15(14)17(21)22/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKeyInChI1.06CTIKDWINEZJFSB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)c1ccc(cc1)C(=O)Nc2c(oc3ccc(Cl)cc23)C(O)=O
SMILESCACTVS3.385C[S](=O)(=O)c1ccc(cc1)C(=O)Nc2c(oc3ccc(Cl)cc23)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)c1ccc(cc1)C(=O)Nc2c3cc(ccc3oc2C(=O)O)Cl
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)c1ccc(cc1)C(=O)Nc2c3cc(ccc3oc2C(=O)O)Cl

246704

PDB entries from 2025-12-24

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