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Summary
Name:5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid
Formula:C16 H12 Cl N O5 S
Formal charge:0
Formula weight:365.788 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid
OpenEye OEToolkits1.7.65-[(4-chlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)S(=O)(=O)Nc3cc2c(oc(c2C(=O)O)C)cc3
InChIInChI1.03InChI=1S/C16H12ClNO5S/c1-9-15(16(19)20)13-8-11(4-7-14(13)23-9)18-24(21,22)12-5-2-10(17)3-6-12/h2-8,18H,1H3,(H,19,20)
InChIKeyInChI1.03UZVVWRBCUSWUON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1oc2ccc(N[S](=O)(=O)c3ccc(Cl)cc3)cc2c1C(O)=O
SMILESCACTVS3.370Cc1oc2ccc(N[S](=O)(=O)c3ccc(Cl)cc3)cc2c1C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O
SMILESOpenEye OEToolkits1.7.6Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O

223166

PDB entries from 2024-07-31

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