1-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]nipecotic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S)C(=O)O

InChI

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