4-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(benzofuran-2-yl)-4-oxo-2-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-(2-benzofuranyl)-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-(benzofuran-2-yl)-4-keto-2-(tosylamino)butyric acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)C2=CC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)C2=CC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C19H17NO6S/c1-12-6-8-14(9-7-12)27(24,25)20-15(19(22)23)11-16(21)18-10-13-4-2-3-5-17(13)26-18/h2-10,15,20H,11H2,1H3,(H,22,23)