heptyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzofuran-3-carboxylic acid heptyl ester Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO5S/c1-6-7-8-9-10-13-31-26(28)25-20(5)32-23-12-11-21(16-22(23)25)27-33(29,30)24-15-18(3)17(2)14-19(24)4/h11-12,14-16,27H,6-10,13H2,1-5H3