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

Systemtic Name: 1-methylsulfonyl-5-[[(phenylmethyl)amino]methyl]pyrrolidine-3-thiol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-[(benzylamino)methyl]-1-methylsulfonyl-pyrrolidine-3-thiol; 2,2,2-trifluoroacetic acid CAS Name: 1-methylsulfonyl-5-[[(phenylmethyl)amino]methyl]-3-pyrrolidinethiol; 2,2,2-trifluoroacetic acid IUPAC Name: 5-[(benzylamino)methyl]-1-methylsulfonylpyrrolidine-3-thiol; 2,2,2-trifluoroacetic acid Traditional Name: 5-[(benzylamino)methyl]-1-mesyl-pyrrolidine-3-thiol; 2,2,2-trifluoroacetic acid Formula: C15H21F3N2O4S2 MolecularWeight: 414.46345

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1CNCC2=CC=CC=C2)S.C(=O)(C(F)(F)F)O

Isomeric SMILES

CS(=O)(=O)N1CC(CC1CNCC2=CC=CC=C2)S.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H20N2O2S2.C2HF3O2/c1-19(16,17)15-10-13(18)7-12(15)9-14-8-11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,12-14,18H,7-10H2,1H3;(H,6,7)