methyl 2-tert-butyl-6-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-tert-butyl-6-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-tert-butyl-6-methyl-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-tert-butyl-6-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-6-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-6-methyl-5-(tosylamino)benzofuran-3-carboxylic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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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)(C)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-13-7-9-15(10-8-13)29(25,26)23-17-12-16-18(11-14(17)2)28-20(22(3,4)5)19(16)21(24)27-6/h7-12,23H,1-6H3