methyl 2-methoxy-4-[1-(4-methylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzoate

Systemtic Name: methyl 2-methoxy-4-[1-(4-methylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzoate Openeye Name: methyl 2-methoxy-4-[1-(4-methylsulfonyloxyphenyl)-5-oxo-pyrrolidin-3-yl]benzoate CAS Name: 2-methoxy-4-[1-(4-methylsulfonyloxyphenyl)-5-oxo-3-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-[1-(4-methylsulfonyloxyphenyl)-5-oxopyrrolidin-3-yl]benzoate Traditional Name: 4-[5-keto-1-(4-methylsulfonyloxyphenyl)pyrrolidin-3-yl]-2-methoxy-benzoic acid methyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)N(C2)C3=CC=C(C=C3)OS(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=O)N(C2)C3=CC=C(C=C3)OS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C20H21NO7S/c1-26-18-10-13(4-9-17(18)20(23)27-2)14-11-19(22)21(12-14)15-5-7-16(8-6-15)28-29(3,24)25/h4-10,14H,11-12H2,1-3H3