ethyl 5-(butylsulfonylamino)-6-methyl-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-(butylsulfonylamino)-6-methyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-(butylsulfonylamino)-6-methyl-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-(butylsulfonylamino)-6-methyl-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylsulfonylamino)-6-methyl-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-(butylsulfonylamino)-6-methyl-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(O2)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(O2)C3=CC=CC=C3)C(=O)OCC)C

InChI

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