(phenylmethyl) 2-[(4-ethoxy-2-oxidanyl-4-oxidanylidene-butoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-ethoxy-2-oxidanyl-4-oxidanylidene-butoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(4-ethoxy-2-hydroxy-4-oxo-butoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[(4-ethoxy-2-hydroxy-4-oxobutoxy)methyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-ethoxy-2-hydroxy-4-oxobutoxy)methyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[(4-ethoxy-2-hydroxy-4-keto-butoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H29NO9S MolecularWeight: 459.51056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(COCC1CC(CN1C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C)O

Isomeric SMILES

CCOC(=O)CC(COCC1CC(CN1C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C)O

InChI

InChI=1S/C20H29NO9S/c1-3-28-19(23)10-17(22)14-27-13-16-9-18(30-31(2,25)26)11-21(16)20(24)29-12-15-7-5-4-6-8-15/h4-8,16-18,22H,3,9-14H2,1-2H3