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

Systemtic Name: methyl 5-[butanoyl-(4-tert-butylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H29NO6S/c1-7-8-22(27)26(33(29,30)19-12-9-17(10-13-19)25(3,4)5)18-11-14-21-20(15-18)23(16(2)32-21)24(28)31-6/h9-15H,7-8H2,1-6H3