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

Systemtic Name: butyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: butyl 2-methyl-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester IUPAC Name: butyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(tosylamino)benzofuran-3-carboxylic acid butyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-4-5-12-26-21(23)20-15(3)27-19-11-8-16(13-18(19)20)22-28(24,25)17-9-6-14(2)7-10-17/h6-11,13,22H,4-5,12H2,1-3H3