3-[(2-fluoranyl-4-thiocyanato-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[(2-fluoranyl-4-thiocyanato-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(2-fluoro-4-thiocyanato-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(2-fluoro-4-thiocyanatophenyl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(2-fluoro-4-thiocyanatophenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(2-fluoro-4-thiocyanato-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C16H13FN2O4S2 MolecularWeight: 380.413823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)F)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)F)C

InChI

InChI=1S/C16H13FN2O4S2/c1-9-5-11(16(20)21)6-15(10(9)2)25(22,23)19-14-4-3-12(24-8-18)7-13(14)17/h3-7,19H,1-2H3,(H,20,21)