5-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C16H14FNO4S3 MolecularWeight: 399.480063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H14FNO4S3/c17-14-6-5-12(9-13(14)15(19)20)25(21,22)18-11-3-1-10(2-4-11)16-23-7-8-24-16/h1-6,9,16,18H,7-8H2,(H,19,20)