hexyl 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate

Systemtic Name: hexyl 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: hexyl 5-(butylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-(butylsulfonylamino)-2,6-dimethyl-3-benzofurancarboxylic acid hexyl ester IUPAC Name: hexyl 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(butylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylic acid hexyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)CCCC)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)CCCC)C)C

InChI

InChI=1S/C21H31NO5S/c1-5-7-9-10-11-26-21(23)20-16(4)27-19-13-15(3)18(14-17(19)20)22-28(24,25)12-8-6-2/h13-14,22H,5-12H2,1-4H3