2-[[[2,5-bis(fluoranyl)phenyl]methylamino]methyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methylamino]methyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid Openeye Name: 2-[[(2,5-difluorophenyl)methylamino]methyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid CAS Name: 2-[[(2,5-difluorophenyl)methylamino]methyl]-4-mercapto-1-pyrrolidinesulfonic acid IUPAC Name: 2-[[(2,5-difluorophenyl)methylamino]methyl]-4-sulfanylpyrrolidine-1-sulfonic acid Traditional Name: 2-[[(2,5-difluorobenzyl)amino]methyl]-4-mercapto-pyrrolidine-1-sulfonic acid Formula: C12H16F2N2O3S2 MolecularWeight: 338.393846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16F2N2O3S2/c13-9-1-2-12(14)8(3-9)5-15-6-10-4-11(20)7-16(10)21(17,18)19/h1-3,10-11,15,20H,4-7H2,(H,17,18,19)