(3-morpholin-4-ylsulfonylphenyl)methyl 4-ethoxy-3-methoxy-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-ethoxy-3-methoxy-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C21H25NO7S/c1-3-28-19-8-7-17(14-20(19)26-2)21(23)29-15-16-5-4-6-18(13-16)30(24,25)22-9-11-27-12-10-22/h4-8,13-14H,3,9-12,15H2,1-2H3