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

Systemtic Name: heptyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-(1-naphthylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-(1-naphthalenylsulfonylamino)-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(1-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=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)C

InChI

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