N,N-dimethylmethanamine; [1-(2-fluoranyl-4-phenyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl methanesulfonate

Systemtic Name: N,N-dimethylmethanamine; [1-(2-fluoranyl-4-phenyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl methanesulfonate Openeye Name: N,N-dimethylmethanamine; [1-(2-fluoro-4-phenyl-phenyl)-5-oxo-pyrrolidin-3-yl]methyl methanesulfonate CAS Name: N,N-dimethylmethanamine; methanesulfonic acid [1-(2-fluoro-4-phenylphenyl)-5-oxo-3-pyrrolidinyl]methyl ester IUPAC Name: N,N-dimethylmethanamine; [1-(2-fluoro-4-phenylphenyl)-5-oxopyrrolidin-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [1-(2-fluoro-4-phenyl-phenyl)-5-keto-pyrrolidin-3-yl]methyl ester; trimethylamine Formula: C21H27FN2O4S MolecularWeight: 422.513483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C.CS(=O)(=O)OCC1CC(=O)N(C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CN(C)C.CS(=O)(=O)OCC1CC(=O)N(C1)C2=C(C=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C18H18FNO4S.C3H9N/c1-25(22,23)24-12-13-9-18(21)20(11-13)17-8-7-15(10-16(17)19)14-5-3-2-4-6-14;1-4(2)3/h2-8,10,13H,9,11-12H2,1H3;1-3H3