5-[[[2,4-bis(fluoranyl)phenyl]methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol

Systemtic Name: 5-[[[2,4-bis(fluoranyl)phenyl]methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[[(2,4-difluorophenyl)methylamino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: 5-[[(2,4-difluorophenyl)methylamino]methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[[(2,4-difluorophenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[[(2,4-difluorobenzyl)amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C22H22F2N2O2S2 MolecularWeight: 448.549086

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CNCC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1CNCC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H22F2N2O2S2/c23-18-7-5-17(22(24)10-18)12-25-13-19-11-20(29)14-26(19)30(27,28)21-8-6-15-3-1-2-4-16(15)9-21/h1-10,19-20,25,29H,11-14H2