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

Systemtic Name: heptyl 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-(butylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-(butylsulfonylamino)-2,6-dimethyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(butylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylic acid heptyl ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5S/c1-5-7-9-10-11-12-27-22(24)21-17(4)28-20-14-16(3)19(15-18(20)21)23-29(25,26)13-8-6-2/h14-15,23H,5-13H2,1-4H3