heptyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-[(4-isopropylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(p-cumenylsulfonylamino)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=CC=C(C=C3)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO5S/c1-5-6-7-8-9-16-31-26(28)25-19(4)32-24-15-12-21(17-23(24)25)27-33(29,30)22-13-10-20(11-14-22)18(2)3/h10-15,17-18,27H,5-9,16H2,1-4H3