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A1AET

Summary
Name:3-(fluorosulfonyl)-5-[(2-oxo-2H-1-benzopyran-3-yl)carbamoyl]benzoic acid
Formula:C17 H10 F N O7 S
Formal charge:0
Formula weight:391.327 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(fluorosulfonyl)-5-[(2-oxo-2H-1-benzopyran-3-yl)carbamoyl]benzoic acid
OpenEye OEToolkits2.0.73-fluorosulfonyl-5-[(2-oxidanylidenechromen-3-yl)carbamoyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc(cc(c1)S(F)(=O)=O)C(=O)NC1=Cc2ccccc2OC1=O
InChIInChI1.06InChI=1S/C17H10FNO7S/c18-27(24,25)12-6-10(5-11(7-12)16(21)22)15(20)19-13-8-9-3-1-2-4-14(9)26-17(13)23/h1-8H,(H,19,20)(H,21,22)
InChIKeyInChI1.06ZLPZLUGTNNAOMA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(cc(c1)[S](F)(=O)=O)C(=O)NC2=Cc3ccccc3OC2=O
SMILESCACTVS3.385OC(=O)c1cc(cc(c1)[S](F)(=O)=O)C(=O)NC2=Cc3ccccc3OC2=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C=C(C(=O)O2)NC(=O)c3cc(cc(c3)S(=O)(=O)F)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C=C(C(=O)O2)NC(=O)c3cc(cc(c3)S(=O)(=O)F)C(=O)O

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PDB entries from 2026-03-25

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