methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-benzofuran-3-carboxylic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C2C(=O)OC)C)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C2C(=O)OC)C)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

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