3-fluoranyl-4-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-[2-(methylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-[2-(methylthio)ethylsulfamoyl]benzoic acid Formula: C11H14FNO4S2 MolecularWeight: 307.361563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)NCCSC)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)NCCSC)C(=O)O)F

InChI

InChI=1S/C11H14FNO4S2/c1-7-9(12)5-8(11(14)15)6-10(7)19(16,17)13-3-4-18-2/h5-6,13H,3-4H2,1-2H3,(H,14,15)