(3-morpholin-4-ylsulfonylphenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23NO7S/c1-15-19-13-17(27-2)6-7-20(19)30-21(15)22(24)29-14-16-4-3-5-18(12-16)31(25,26)23-8-10-28-11-9-23/h3-7,12-13H,8-11,14H2,1-2H3