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

Systemtic Name: heptyl 5-(ethylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-(ethylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-(ethylsulfonylamino)-2,6-dimethyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-(ethylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(esylamino)-2,6-dimethyl-benzofuran-3-carboxylic acid heptyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO5S/c1-5-7-8-9-10-11-25-20(22)19-15(4)26-18-12-14(3)17(13-16(18)19)21-27(23,24)6-2/h12-13,21H,5-11H2,1-4H3