3-fluoranyl-4-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid CAS Name: 3-fluoro-4-methyl-5-[methyl(3-thiolanyl)sulfamoyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Traditional Name: 3-fluoro-4-methyl-5-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid Formula: C13H16FNO4S2 MolecularWeight: 333.398843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N(C)C2CCSC2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N(C)C2CCSC2)C(=O)O)F

InChI

InChI=1S/C13H16FNO4S2/c1-8-11(14)5-9(13(16)17)6-12(8)21(18,19)15(2)10-3-4-20-7-10/h5-6,10H,3-4,7H2,1-2H3,(H,16,17)