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QAI

Summary
Name:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid
Formula:C23 H16 Cl N O4 S2
Formal charge:0
Formula weight:469.96 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H16ClNO4S2/c24-18-10-6-17(7-11-18)21-14-20(22(30-21)23(26)27)25-31(28,29)19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-14,25H,(H,26,27)
InChIKeyInChI1.06SMUIBJWACXFLOC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1sc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
SMILESCACTVS3.385OC(=O)c1sc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(sc3C(=O)O)c4ccc(cc4)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(sc3C(=O)O)c4ccc(cc4)Cl

220760

PDB entries from 2024-06-05

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