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

Systemtic Name: pentyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid amyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

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