4,5-dimethyl-2-(phenylsulfonylamino)thiophene-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-2-(phenylsulfonylamino)thiophene-3-carboxylic acid Openeye Name: 2-(benzenesulfonamido)-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-(benzenesulfonamido)-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-(benzenesulfonamido)-4,5-dimethyl-3-thenoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H13NO4S2/c1-8-9(2)19-12(11(8)13(15)16)14-20(17,18)10-6-4-3-5-7-10/h3-7,14H,1-2H3,(H,15,16)