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WSI

Summary
Name:2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid
Formula:C20 H15 Cl N2 O5 S
Formal charge:0
Formula weight:430.862 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H15ClN2O5S/c21-14-8-10-15(11-9-14)22-19(24)13-4-3-5-16(12-13)29(27,28)23-18-7-2-1-6-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyInChI1.06VFTDTUYAXCTQQQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1N[S](=O)(=O)c2cccc(c2)C(=O)Nc3ccc(Cl)cc3
SMILESCACTVS3.385OC(=O)c1ccccc1N[S](=O)(=O)c2cccc(c2)C(=O)Nc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)Cl

221051

PDB entries from 2024-06-12

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