4-ethoxy-5-(2-hydroxyethylamino)-3-methyl-6-[2-(methylsulfonylamino)phenyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-ethoxy-5-(2-hydroxyethylamino)-3-methyl-6-[2-(methylsulfonylamino)phenyl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-ethoxy-5-(2-hydroxyethylamino)-6-[2-(methanesulfonamido)phenyl]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 4-ethoxy-5-(2-hydroxyethylamino)-6-[2-(methanesulfonamido)phenyl]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 4-ethoxy-5-(2-hydroxyethylamino)-6-[2-(methanesulfonamido)phenyl]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 4-ethoxy-5-(2-hydroxyethylamino)-6-[2-(methanesulfonamido)phenyl]-3-methyl-coumarilic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC2=C1C(=C(O2)C(=O)O)C)C3=CC=CC=C3NS(=O)(=O)C)NCCO

Isomeric SMILES

CCOC1=C(C(=CC2=C1C(=C(O2)C(=O)O)C)C3=CC=CC=C3NS(=O)(=O)C)NCCO

InChI

InChI=1S/C21H24N2O7S/c1-4-29-20-17-12(2)19(21(25)26)30-16(17)11-14(18(20)22-9-10-24)13-7-5-6-8-15(13)23-31(3,27)28/h5-8,11,22-24H,4,9-10H2,1-3H3,(H,25,26)