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

Systemtic Name: ethyl 5-[butanoyl-[4-(2-methylpropyl)phenyl]sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl-(4-isobutylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-(1-oxobutyl)amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-[4-(2-methylpropyl)phenyl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(4-isobutylphenyl)sulfonyl-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)CC(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)CC(C)C

InChI

InChI=1S/C26H31NO6S/c1-6-8-24(28)27(34(30,31)21-12-9-19(10-13-21)15-17(3)4)20-11-14-23-22(16-20)25(18(5)33-23)26(29)32-7-2/h9-14,16-17H,6-8,15H2,1-5H3