heptyl 2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-(2-naphthylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-(2-naphthalenylsulfonylamino)-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(2-naphthylsulfonylamino)benzofuran-3-carboxylic acid heptyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C27H29NO5S/c1-3-4-5-6-9-16-32-27(29)26-19(2)33-25-15-13-22(18-24(25)26)28-34(30,31)23-14-12-20-10-7-8-11-21(20)17-23/h7-8,10-15,17-18,28H,3-6,9,16H2,1-2H3