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

Systemtic Name: 2-methoxy-3-[1-(4-methylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzoic acid Openeye Name: 2-methoxy-3-[1-(4-methylsulfonyloxyphenyl)-5-oxo-pyrrolidin-3-yl]benzoic acid CAS Name: 2-methoxy-3-[1-(4-methylsulfonyloxyphenyl)-5-oxo-3-pyrrolidinyl]benzoic acid IUPAC Name: 2-methoxy-3-[1-(4-methylsulfonyloxyphenyl)-5-oxopyrrolidin-3-yl]benzoic acid Traditional Name: 3-[5-keto-1-(4-methylsulfonyloxyphenyl)pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C19H19NO7S/c1-26-18-15(4-3-5-16(18)19(22)23)12-10-17(21)20(11-12)13-6-8-14(9-7-13)27-28(2,24)25/h3-9,12H,10-11H2,1-2H3,(H,22,23)