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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

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