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1JL

Summary
Name:2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid
Formula:C20 H17 N O5 S
Formal charge:0
Formula weight:383.418 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid
OpenEye OEToolkits1.7.62-[(4-methylphenyl)sulfonylamino]-4-phenoxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc2cc(Oc1ccccc1)ccc2C(=O)O)c3ccc(cc3)C
InChIInChI1.03InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)
InChIKeyInChI1.03JLEWSFZFGVKGLO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ccc(cc1)[S](=O)(=O)Nc2cc(Oc3ccccc3)ccc2C(O)=O
SMILESCACTVS3.370Cc1ccc(cc1)[S](=O)(=O)Nc2cc(Oc3ccccc3)ccc2C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3

223532

PDB entries from 2024-08-07

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