(phenylmethyl) 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-[(4-isopropylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(p-cumenylsulfonylamino)benzofuran-3-carboxylic acid benzyl ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO5S/c1-17(2)20-9-12-22(13-10-20)33(29,30)27-21-11-14-24-23(15-21)25(18(3)32-24)26(28)31-16-19-7-5-4-6-8-19/h4-15,17,27H,16H2,1-3H3