3-methyl-5-(4-phenylbutan-2-ylsulfamoyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-methyl-5-(4-phenylbutan-2-ylsulfamoyl)-1-benzofuran-2-carboxylate Openeye Name: 3-methyl-5-[(1-methyl-3-phenyl-propyl)sulfamoyl]benzofuran-2-carboxylate CAS Name: 3-methyl-5-(4-phenylbutan-2-ylsulfamoyl)-2-benzofurancarboxylate IUPAC Name: 3-methyl-5-(4-phenylbutan-2-ylsulfamoyl)-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[(1-methyl-3-phenyl-propyl)sulfamoyl]coumarilate Formula: C20H20NO5S- MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NC(C)CCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NC(C)CCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H21NO5S/c1-13(8-9-15-6-4-3-5-7-15)21-27(24,25)16-10-11-18-17(12-16)14(2)19(26-18)20(22)23/h3-7,10-13,21H,8-9H2,1-2H3,(H,22,23)/p-1