ethyl 5-[butanoyl-(4-tert-butylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[butanoyl-(4-tert-butylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl-(4-tert-butylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonyl-(1-oxobutyl)amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonyl-butyryl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H31NO6S/c1-7-9-23(28)27(34(30,31)20-13-10-18(11-14-20)26(4,5)6)19-12-15-22-21(16-19)24(17(3)33-22)25(29)32-8-2/h10-16H,7-9H2,1-6H3