5-[[(2-methylphenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol

Systemtic Name: 5-[[(2-methylphenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 1-(2-naphthylsulfonyl)-5-[(o-tolylmethylamino)methyl]pyrrolidine-3-thiol CAS Name: 5-[[(2-methylphenyl)methylamino]methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[[(2-methylphenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[[(2-methylbenzyl)amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C23H26N2O2S2 MolecularWeight: 426.59474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CC1=CC=CC=C1CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C23H26N2O2S2/c1-17-6-2-3-9-20(17)14-24-15-21-13-22(28)16-25(21)29(26,27)23-11-10-18-7-4-5-8-19(18)12-23/h2-12,21-22,24,28H,13-16H2,1H3