1-naphthalen-2-ylsulfonyl-5-[[[2,3,6-tris(fluoranyl)phenyl]methylamino]methyl]pyrrolidine-3-thiol

Systemtic Name: 1-naphthalen-2-ylsulfonyl-5-[[[2,3,6-tris(fluoranyl)phenyl]methylamino]methyl]pyrrolidine-3-thiol Openeye Name: 1-(2-naphthylsulfonyl)-5-[[(2,3,6-trifluorophenyl)methylamino]methyl]pyrrolidine-3-thiol CAS Name: 1-(2-naphthalenylsulfonyl)-5-[[(2,3,6-trifluorophenyl)methylamino]methyl]-3-pyrrolidinethiol IUPAC Name: 1-naphthalen-2-ylsulfonyl-5-[[(2,3,6-trifluorophenyl)methylamino]methyl]pyrrolidine-3-thiol Traditional Name: 1-(2-naphthylsulfonyl)-5-[[(2,3,6-trifluorobenzyl)amino]methyl]pyrrolidine-3-thiol Formula: C22H21F3N2O2S2 MolecularWeight: 466.53955

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CNCC2=C(C=CC(=C2F)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1CNCC2=C(C=CC(=C2F)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H21F3N2O2S2/c23-20-7-8-21(24)22(25)19(20)12-26-11-16-10-17(30)13-27(16)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-9,16-17,26,30H,10-13H2