3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylsulfamoyl]-4-methyl-benzoic acid Formula: C20H23NO6S MolecularWeight: 405.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C20H23NO6S/c1-4-26-17-8-15-7-13(3)27-18(15)9-16(17)11-21-28(24,25)19-10-14(20(22)23)6-5-12(19)2/h5-6,8-10,13,21H,4,7,11H2,1-3H3,(H,22,23)