1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]isonipecotic acid Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H26N2O4S2/c24-21(25)15-7-9-23(10-8-15)20(19-12-17(28)13-22-19)29(26,27)18-6-5-14-3-1-2-4-16(14)11-18/h1-6,11,15,17,19-20,22,28H,7-10,12-13H2,(H,24,25)