[4-(2-oxidanylidenepyrrolidin-1-yl)-2-(phenylmethyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)-2-(phenylmethyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-benzyl-4-(2-oxopyrrolidin-1-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(2-oxo-1-pyrrolidinyl)-2-(phenylmethyl)phenyl] ester IUPAC Name: [2-benzyl-4-(2-oxopyrrolidin-1-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-benzyl-4-(2-ketopyrrolidino)phenyl] ester Formula: C18H16F3NO4S MolecularWeight: 399.38415

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H16F3NO4S/c19-18(20,21)27(24,25)26-16-9-8-15(22-10-4-7-17(22)23)12-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11H2