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

Systemtic Name: pentyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: pentyl 2-methyl-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(tosylamino)benzofuran-3-carboxylic acid amyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-4-5-6-13-27-22(24)21-16(3)28-20-12-9-17(14-19(20)21)23-29(25,26)18-10-7-15(2)8-11-18/h7-12,14,23H,4-6,13H2,1-3H3