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

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)sulfamoyl]-4-methyl-benzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-4-25-17-8-14-7-12(3)26-16(14)10-15(17)20-27(23,24)18-9-13(19(21)22)6-5-11(18)2/h5-6,8-10,12,20H,4,7H2,1-3H3,(H,21,22)