(phenylmethyl) 2,6-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 2,6-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: benzyl 2,6-dimethyl-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2,6-dimethyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,6-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2,6-dimethyl-5-(tosylamino)benzofuran-3-carboxylic acid benzyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C(=C2)C(=C(O3)C)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C(=C2)C(=C(O3)C)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H23NO5S/c1-16-9-11-20(12-10-16)32(28,29)26-22-14-21-23(13-17(22)2)31-18(3)24(21)25(27)30-15-19-7-5-4-6-8-19/h4-14,26H,15H2,1-3H3