3-[1-(4-ethylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

InChI

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