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A41

Summary
Name:5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID
Formula:C14 H13 N O4 S
Formal charge:0
Formula weight:291.322 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-methyl-2-[(phenylsulfonyl)amino]benzoic acid
OpenEye OEToolkits1.5.05-methyl-2-(phenylsulfonylamino)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Nc1ccc(cc1C(=O)O)C)c2ccccc2
SMILES_CANONICALCACTVS3.341Cc1ccc(N[S](=O)(=O)c2ccccc2)c(c1)C(O)=O
SMILESCACTVS3.341Cc1ccc(N[S](=O)(=O)c2ccccc2)c(c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2
SMILESOpenEye OEToolkits1.5.0Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2
InChIInChI1.03InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)
InChIKeyInChI1.03HXQLTRSIZRSFTR-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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