3-[5-methoxy-2,4-dimethyl-3-(phenylsulfonylamino)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[5-methoxy-2,4-dimethyl-3-(phenylsulfonylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[3-(benzenesulfonamido)-5-methoxy-2,4-dimethyl-phenyl]thiophene-2-carboxylic acid CAS Name: 3-[3-(benzenesulfonamido)-5-methoxy-2,4-dimethylphenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(benzenesulfonamido)-5-methoxy-2,4-dimethylphenyl]thiophene-2-carboxylic acid Traditional Name: 3-[3-(benzenesulfonamido)-5-methoxy-2,4-dimethyl-phenyl]-2-thenoic acid Formula: C20H19NO5S2 MolecularWeight: 417.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C2=C(SC=C2)C(=O)O)OC)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1C2=C(SC=C2)C(=O)O)OC)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S2/c1-12-16(15-9-10-27-19(15)20(22)23)11-17(26-3)13(2)18(12)21-28(24,25)14-7-5-4-6-8-14/h4-11,21H,1-3H3,(H,22,23)