octyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: octyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: octyl 2-methyl-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylic acid octyl ester IUPAC Name: octyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(tosylamino)benzofuran-3-carboxylic acid octyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5S/c1-4-5-6-7-8-9-16-30-25(27)24-19(3)31-23-15-12-20(17-22(23)24)26-32(28,29)21-13-10-18(2)11-14-21/h10-15,17,26H,4-9,16H2,1-3H3