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3R7

Summary
Name:4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
Formula:C15 H13 N O4 S
Formal charge:0
Formula weight:303.333 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
OpenEye OEToolkits1.9.24-ethenyl-2-(phenylsulfonylamino)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc1cc(/C=C)ccc1C(=O)O)c2ccccc2
InChIInChI1.03InChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18)
InChIKeyInChI1.03SWCRJSPSKPQDKL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(C=C)cc1N[S](=O)(=O)c2ccccc2
SMILESCACTVS3.385OC(=O)c1ccc(C=C)cc1N[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.9.2C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O
SMILESOpenEye OEToolkits1.9.2C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O

223532

건을2024-08-07부터공개중

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