3-fluoranyl-5-(furan-2-ylmethylsulfamoyl)-4-methyl-benzoic acid

Systemtic Name: 3-fluoranyl-5-(furan-2-ylmethylsulfamoyl)-4-methyl-benzoic acid Openeye Name: 3-fluoro-5-(2-furylmethylsulfamoyl)-4-methyl-benzoic acid CAS Name: 3-fluoro-5-(2-furanylmethylsulfamoyl)-4-methylbenzoic acid IUPAC Name: 3-fluoro-5-(furan-2-ylmethylsulfamoyl)-4-methylbenzoic acid Traditional Name: 3-fluoro-5-(2-furfurylsulfamoyl)-4-methyl-benzoic acid Formula: C13H12FNO5S MolecularWeight: 313.301483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)NCC2=CC=CO2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)NCC2=CC=CO2)C(=O)O)F

InChI

InChI=1S/C13H12FNO5S/c1-8-11(14)5-9(13(16)17)6-12(8)21(18,19)15-7-10-3-2-4-20-10/h2-6,15H,7H2,1H3,(H,16,17)