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

Systemtic Name: 5-[[[2,3-bis(fluoranyl)phenyl]methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[[(2,3-difluorophenyl)methylamino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: 5-[[(2,3-difluorophenyl)methylamino]methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[[(2,3-difluorophenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[[(2,3-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(=CC=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

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

InChI

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