[2-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-phenyl)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-phenyl)ethyl] ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25NO8S/c1-15-4-5-16(13-21(15)32(26,27)23-8-10-30-11-9-23)18(24)14-31-22(25)17-6-7-19(28-2)20(12-17)29-3/h4-7,12-13H,8-11,14H2,1-3H3