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

Systemtic Name: butyl 2,6-dimethyl-5-(phenylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: butyl 5-(benzenesulfonamido)-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-(benzenesulfonamido)-2,6-dimethyl-3-benzofurancarboxylic acid butyl ester IUPAC Name: butyl 5-(benzenesulfonamido)-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(benzenesulfonamido)-2,6-dimethyl-benzofuran-3-carboxylic acid butyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-4-5-11-26-21(23)20-15(3)27-19-12-14(2)18(13-17(19)20)22-28(24,25)16-9-7-6-8-10-16/h6-10,12-13,22H,4-5,11H2,1-3H3