pentyl 2,6-dimethyl-5-(phenylsulfonylamino)-1-benzofuran-3-carboxylate

Systemtic Name: pentyl 2,6-dimethyl-5-(phenylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: pentyl 5-(benzenesulfonamido)-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-(benzenesulfonamido)-2,6-dimethyl-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-(benzenesulfonamido)-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(benzenesulfonamido)-2,6-dimethyl-benzofuran-3-carboxylic acid amyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H25NO5S/c1-4-5-9-12-27-22(24)21-16(3)28-20-13-15(2)19(14-18(20)21)23-29(25,26)17-10-7-6-8-11-17/h6-8,10-11,13-14,23H,4-5,9,12H2,1-3H3