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

Systemtic Name: methyl 2-methoxy-4-[5-oxidanylidene-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]benzoate Openeye Name: methyl 2-methoxy-4-[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]benzoate CAS Name: 2-methoxy-4-[5-oxo-1-(4-propylsulfonyloxyphenyl)-3-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]benzoate Traditional Name: 4-[5-keto-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]-2-methoxy-benzoic acid methyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)C3=CC(=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)C3=CC(=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H25NO7S/c1-4-11-31(26,27)30-18-8-6-17(7-9-18)23-14-16(13-21(23)24)15-5-10-19(22(25)29-3)20(12-15)28-2/h5-10,12,16H,4,11,13-14H2,1-3H3