[1-(phenylmethyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methyl phenylmethanesulfonate

Systemtic Name: [1-(phenylmethyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methyl phenylmethanesulfonate Openeye Name: [1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]methyl phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [1-(phenylmethyl)-3-(trifluoromethyl)-3-pyrrolidinyl]methyl ester IUPAC Name: [1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]methyl phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]methyl ester Formula: C20H22F3NO3S MolecularWeight: 413.45379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1(COS(=O)(=O)CC2=CC=CC=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1(COS(=O)(=O)CC2=CC=CC=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H22F3NO3S/c21-20(22,23)19(11-12-24(15-19)13-17-7-3-1-4-8-17)16-27-28(25,26)14-18-9-5-2-6-10-18/h1-10H,11-16H2