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

Systemtic Name: 5-[[methyl(phenethyl)amino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[[methyl(phenethyl)amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: 5-[[methyl(phenethyl)amino]methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[[methyl(phenethyl)amino]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[[methyl(phenethyl)amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C24H28N2O2S2 MolecularWeight: 440.62132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C24H28N2O2S2/c1-25(14-13-19-7-3-2-4-8-19)17-22-16-23(29)18-26(22)30(27,28)24-12-11-20-9-5-6-10-21(20)15-24/h2-12,15,22-23,29H,13-14,16-18H2,1H3