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FIH

Summary
Name:5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID
Synonyms:5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI
Formula:C18 H14 F N O4 S2
Formal charge:0
Formula weight:391.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
OpenEye OEToolkits1.5.05-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1)C)c3ccc(F)cc3
SMILES_CANONICALCACTVS3.341Cc1ccc(cc1)[S](=O)(=O)Nc2cc(sc2C(O)=O)c3ccc(F)cc3
SMILESCACTVS3.341Cc1ccc(cc1)[S](=O)(=O)Nc2cc(sc2C(O)=O)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F
InChIInChI1.03InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22)
InChIKeyInChI1.03DJPFUQBNQLKCAB-UHFFFAOYSA-N

223790

数据于2024-08-14公开中

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