F77

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Summary

Name:3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID
Synonyms:3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID
Formula:C16 H16 F N O4 S
Formal charge:0
Molecular weight:337.366 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid
OpenEye OEToolkits1.5.03-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2
SMILES_CANONICALCACTVS3.341CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
SMILESCACTVS3.341CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
SMILES_CANONICALOpenEye OEToolkits1.5.0CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F
SMILESOpenEye OEToolkits1.5.0CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F
InChIInChI1.03InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyInChI1.03MGUQWAOYPINSIT-UHFFFAOYSA-N
167518
PDB entries from 2020-08-12