[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C22H25NO9S MolecularWeight: 479.5002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25NO9S/c1-28-19-12-16(13-20(29-2)21(19)30-3)18(24)14-32-22(25)15-5-4-6-17(11-15)33(26,27)23-7-9-31-10-8-23/h4-6,11-13H,7-10,14H2,1-3H3