methyl 6-[3-(methylsulfonyloxymethyl)-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]hexanoate

Systemtic Name: methyl 6-[3-(methylsulfonyloxymethyl)-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]hexanoate Openeye Name: methyl 6-[3-(methylsulfonyloxymethyl)-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]hexanoate CAS Name: 6-[3-(methylsulfonyloxymethyl)-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(methylsulfonyloxymethyl)-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]hexanoate Traditional Name: 6-[2-keto-3-(methylsulfonyloxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]hexanoic acid methyl ester Formula: C22H33NO6S MolecularWeight: 439.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC1(CCN(C1=O)CCCC2=CC=CC=C2)COS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCCC1(CCN(C1=O)CCCC2=CC=CC=C2)COS(=O)(=O)C

InChI

InChI=1S/C22H33NO6S/c1-28-20(24)13-7-4-8-14-22(18-29-30(2,26)27)15-17-23(21(22)25)16-9-12-19-10-5-3-6-11-19/h3,5-6,10-11H,4,7-9,12-18H2,1-2H3