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QGZ

Summary
Name:5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid
Formula:C19 H17 N3 O4 S
Formal charge:0
Formula weight:383.421 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H17N3O4S/c23-19(24)17-12-20-22(18(17)13-9-10-13)15-6-4-5-14(11-15)21-27(25,26)16-7-2-1-3-8-16/h1-8,11-13,21H,9-10H2,(H,23,24)
InChIKeyInChI1.03IDKJYWWTGIDTLE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cnn(c2cccc(N[S](=O)(=O)c3ccccc3)c2)c1C4CC4
SMILESCACTVS3.385OC(=O)c1cnn(c2cccc(N[S](=O)(=O)c3ccccc3)c2)c1C4CC4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4

223790

PDB entries from 2024-08-14

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