1-(1-naphthalen-1-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(1-naphthalen-1-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(1-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-mercapto-1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-naphthalen-1-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-[4-mercapto-1-(1-naphthylsulfonyl)prolyl]isonipecotic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=CC4=CC=CC=C43)S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=CC4=CC=CC=C43)S

InChI

InChI=1S/C21H24N2O5S2/c24-20(22-10-8-15(9-11-22)21(25)26)18-12-16(29)13-23(18)30(27,28)19-7-3-5-14-4-1-2-6-17(14)19/h1-7,15-16,18,29H,8-13H2,(H,25,26)