[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C21H21NO6S/c1-29(26,27)14-15-5-2-7-17(11-15)21(25)28-13-19(23)16-6-3-8-18(12-16)22-10-4-9-20(22)24/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3