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YPV

Summary
Name:5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
Formula:C17 H19 N O5 S
Formal charge:0
Formula weight:349.401 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
OpenEye OEToolkits2.0.75-[(4-butylphenyl)sulfamoyl]-2-oxidanyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1C(=O)O)S(=O)(=O)Nc1ccc(CCCC)cc1
InChIInChI1.03InChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21)
InChIKeyInChI1.03AJISVEXLPBAKLT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCc1ccc(N[S](=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1
SMILESCACTVS3.385CCCCc1ccc(N[S](=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCc1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)C(=O)O)O
SMILESOpenEye OEToolkits2.0.7CCCCc1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)C(=O)O)O

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건을2024-07-24부터공개중

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