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A1IQD

Summary
Name:4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
Formula:C28 H18 Cl F3 N2 O5 S
Formal charge:0
Formula weight:586.966 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H18ClF3N2O5S/c29-19-11-13-23-21(15-19)26(33-34(23)40(37,38)25-9-5-4-8-22(25)28(30,31)32)20-12-10-18(27(35)36)14-24(20)39-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,35,36)
InChIKeyInChI1.06ITHDMNAVELQSKD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(c4ccc(Cl)cc34)[S](=O)(=O)c5ccccc5C(F)(F)F
SMILESCACTVS3.385OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(c4ccc(Cl)cc34)[S](=O)(=O)c5ccccc5C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)S(=O)(=O)c5ccccc5C(F)(F)F)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)S(=O)(=O)c5ccccc5C(F)(F)F)Cl)C(=O)O

246704

PDB entries from 2025-12-24

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