[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H25NO9S MolecularWeight: 479.5002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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