2-[3-[(4-fluorophenyl)methyl]-2-oxidanylidene-1-(1-phenylethyl)pyrrolidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[3-[(4-fluorophenyl)methyl]-2-oxidanylidene-1-(1-phenylethyl)pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[3-[(4-fluorophenyl)methyl]-2-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-[(4-fluorophenyl)methyl]-2-oxo-1-(1-phenylethyl)-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[3-[(4-fluorophenyl)methyl]-2-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-(4-fluorobenzyl)-2-keto-1-(1-phenylethyl)pyrrolidin-3-yl]ethyl ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(C2=O)(CCOS(=O)(=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCC(C2=O)(CCOS(=O)(=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO4S/c1-17(19-6-4-3-5-7-19)24-14-12-22(21(24)25,13-15-28-29(2,26)27)16-18-8-10-20(23)11-9-18/h3-11,17H,12-16H2,1-2H3