(3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO7S/c1-26-18-12-15(11-17(21)19(18)27-2)20(23)29-13-14-4-3-5-16(10-14)30(24,25)22-6-8-28-9-7-22/h3-5,10-12H,6-9,13H2,1-2H3