5-[[methyl-(phenylmethyl)amino]methyl]-1-methylsulfonyl-pyrrolidine-3-thiol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-[[methyl-(phenylmethyl)amino]methyl]-1-methylsulfonyl-pyrrolidine-3-thiol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-[[benzyl(methyl)amino]methyl]-1-methylsulfonyl-pyrrolidine-3-thiol; 2,2,2-trifluoroacetic acid CAS Name: 5-[[methyl-(phenylmethyl)amino]methyl]-1-methylsulfonyl-3-pyrrolidinethiol; 2,2,2-trifluoroacetic acid IUPAC Name: 5-[[benzyl(methyl)amino]methyl]-1-methylsulfonylpyrrolidine-3-thiol; 2,2,2-trifluoroacetic acid Traditional Name: 5-[[benzyl(methyl)amino]methyl]-1-mesyl-pyrrolidine-3-thiol; 2,2,2-trifluoroacetic acid Formula: C16H23F3N2O4S2 MolecularWeight: 428.49003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC(CN1S(=O)(=O)C)S)CC2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN(CC1CC(CN1S(=O)(=O)C)S)CC2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H22N2O2S2.C2HF3O2/c1-15(9-12-6-4-3-5-7-12)10-13-8-14(19)11-16(13)20(2,17)18;3-2(4,5)1(6)7/h3-7,13-14,19H,8-11H2,1-2H3;(H,6,7)