4-[[5-oxidanylidene-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[5-oxidanylidene-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[5-oxo-1-(4-propylsulfonyloxyphenyl)-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[5-keto-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]methoxy]benzoic acid Formula: C21H23NO7S MolecularWeight: 433.47482

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-2-11-30(26,27)29-19-9-5-17(6-10-19)22-13-15(12-20(22)23)14-28-18-7-3-16(4-8-18)21(24)25/h3-10,15H,2,11-14H2,1H3,(H,24,25)