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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7S/c1-2-29(25,26)28-18-9-5-16(6-10-18)21-12-14(11-19(21)22)13-27-17-7-3-15(4-8-17)20(23)24/h3-10,14H,2,11-13H2,1H3,(H,23,24)