butyl 2-methyl-5-(phenylsulfonylamino)-1-benzofuran-3-carboxylate

Systemtic Name: butyl 2-methyl-5-(phenylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: butyl 5-(benzenesulfonamido)-2-methyl-benzofuran-3-carboxylate CAS Name: 5-(benzenesulfonamido)-2-methyl-3-benzofurancarboxylic acid butyl ester IUPAC Name: butyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(benzenesulfonamido)-2-methyl-benzofuran-3-carboxylic acid butyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO5S/c1-3-4-12-25-20(22)19-14(2)26-18-11-10-15(13-17(18)19)21-27(23,24)16-8-6-5-7-9-16/h5-11,13,21H,3-4,12H2,1-2H3