3,4-dimethyl-5-[(2-morpholin-4-ylcarbonyl-1-benzofuran-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(2-morpholin-4-ylcarbonyl-1-benzofuran-3-yl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[2-(morpholine-4-carbonyl)benzofuran-3-yl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[2-[4-morpholinyl(oxo)methyl]-3-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[2-(morpholine-4-carbonyl)benzofuran-3-yl]sulfamoyl]benzoic acid Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCOCC4)C

InChI

InChI=1S/C22H22N2O7S/c1-13-11-15(22(26)27)12-18(14(13)2)32(28,29)23-19-16-5-3-4-6-17(16)31-20(19)21(25)24-7-9-30-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3,(H,26,27)