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

Systemtic Name: pentyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

InChI

InChI=1S/C26H33NO5S/c1-7-8-9-14-31-25(28)24-18(3)32-23-15-17(2)22(16-21(23)24)27-33(29,30)20-12-10-19(11-13-20)26(4,5)6/h10-13,15-16,27H,7-9,14H2,1-6H3