(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C22H27NO7S/c1-27-20-8-6-17(15-21(20)28-2)7-9-22(24)30-16-18-4-3-5-19(14-18)31(25,26)23-10-12-29-13-11-23/h3-6,8,14-15H,7,9-13,16H2,1-2H3