(E)-3-[4-fluoranyl-3-(propylsulfamoyl)phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[4-fluoranyl-3-(propylsulfamoyl)phenyl]but-2-enoic acid Openeye Name: (E)-3-[4-fluoro-3-(propylsulfamoyl)phenyl]but-2-enoic acid CAS Name: (E)-3-[4-fluoro-3-(propylsulfamoyl)phenyl]-2-butenoic acid IUPAC Name: (E)-3-[4-fluoro-3-(propylsulfamoyl)phenyl]but-2-enoic acid Traditional Name: (E)-3-[4-fluoro-3-(propylsulfamoyl)phenyl]but-2-enoic acid Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=C(C=CC(=C1)C(=CC(=O)O)C)F

Isomeric SMILES

CCCNS(=O)(=O)C1=C(C=CC(=C1)/C(=C/C(=O)O)/C)F

InChI

InChI=1S/C13H16FNO4S/c1-3-6-15-20(18,19)12-8-10(4-5-11(12)14)9(2)7-13(16)17/h4-5,7-8,15H,3,6H2,1-2H3,(H,16,17)/b9-7+