(3-morpholin-4-ylsulfonylphenyl)methyl 2,4,5-trimethoxybenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,4,5-trimethoxybenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H25NO8S MolecularWeight: 451.4901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC)OC

InChI

InChI=1S/C21H25NO8S/c1-26-18-13-20(28-3)19(27-2)12-17(18)21(23)30-14-15-5-4-6-16(11-15)31(24,25)22-7-9-29-10-8-22/h4-6,11-13H,7-10,14H2,1-3H3