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QA0

Summary
Name:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
Formula:C26 H18 Cl N O6 S
Formal charge:0
Formula weight:507.942 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32)
InChIKeyInChI1.06YTJHZNUCWYZRPQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
SMILESCACTVS3.385OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3C(=O)O)C(=O)O)c4ccc(cc4)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3C(=O)O)C(=O)O)c4ccc(cc4)Cl

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PDB entries from 2024-05-29

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