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

Systemtic Name: butyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: butyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-3-benzofurancarboxylic acid butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C25H31NO5S/c1-7-8-13-30-24(27)23-17(3)31-22-14-16(2)21(15-20(22)23)26-32(28,29)19-11-9-18(10-12-19)25(4,5)6/h9-12,14-15,26H,7-8,13H2,1-6H3