methyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[1-oxobutyl-(2,4,6-trimethylphenyl)sulfonylamino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl(mesitylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C24H27NO6S MolecularWeight: 457.53928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C24H27NO6S/c1-7-8-21(26)25(32(28,29)23-15(3)11-14(2)12-16(23)4)18-9-10-20-19(13-18)22(17(5)31-20)24(27)30-6/h9-13H,7-8H2,1-6H3