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

Systemtic Name: methyl 4-[[5-oxidanylidene-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoate Openeye Name: methyl 4-[[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoate CAS Name: 4-[[5-oxo-1-(4-propylsulfonyloxyphenyl)-3-pyrrolidinyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoate Traditional Name: 4-[[5-keto-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]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)COC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25NO7S/c1-3-12-31(26,27)30-20-10-6-18(7-11-20)23-14-16(13-21(23)24)15-29-19-8-4-17(5-9-19)22(25)28-2/h4-11,16H,3,12-15H2,1-2H3