5-[[ethyl-[(2-fluorophenyl)methyl]amino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol

Systemtic Name: 5-[[ethyl-[(2-fluorophenyl)methyl]amino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[[ethyl-[(2-fluorophenyl)methyl]amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: 5-[[ethyl-[(2-fluorophenyl)methyl]amino]methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[[ethyl-[(2-fluorophenyl)methyl]amino]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[[ethyl-(2-fluorobenzyl)amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C24H27FN2O2S2 MolecularWeight: 458.611783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S)CC4=CC=CC=C4F

Isomeric SMILES

CCN(CC1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S)CC4=CC=CC=C4F

InChI

InChI=1S/C24H27FN2O2S2/c1-2-26(15-20-9-5-6-10-24(20)25)16-21-14-22(30)17-27(21)31(28,29)23-12-11-18-7-3-4-8-19(18)13-23/h3-13,21-22,30H,2,14-17H2,1H3