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F79

Summary
Name:2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
Formula:C17 H19 F N2 O5 S
Formal charge:0
Formula weight:382.407 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid
OpenEye OEToolkits1.5.02-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)O)c(OCCN)c(cc2)CC
SMILES_CANONICALCACTVS3.341CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OCCN
SMILESCACTVS3.341CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OCCN
SMILES_CANONICALOpenEye OEToolkits1.5.0CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F
SMILESOpenEye OEToolkits1.5.0CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F
InChIInChI1.03InChI=1S/C17H19FN2O5S/c1-2-11-3-8-14(15(17(21)22)16(11)25-10-9-19)20-26(23,24)13-6-4-12(18)5-7-13/h3-8,20H,2,9-10,19H2,1H3,(H,21,22)
InChIKeyInChI1.03YLNWNNUWISTBAA-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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