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

Systemtic Name: methyl 5-[butanoyl-(4-methylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl(p-tolylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonyl-(1-oxobutyl)amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl(tosyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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=CC=C(C=C3)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

InChI

InChI=1S/C22H23NO6S/c1-5-6-20(24)23(30(26,27)17-10-7-14(2)8-11-17)16-9-12-19-18(13-16)21(15(3)29-19)22(25)28-4/h7-13H,5-6H2,1-4H3