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

Systemtic Name: 1-(4-sulfanyl-1-thiophen-2-ylsulfonyl-pyrrolidin-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-sulfanyl-1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-mercapto-1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-sulfanyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-[4-mercapto-1-(2-thienylsulfonyl)prolyl]isonipecotic acid Formula: C15H20N2O5S3 MolecularWeight: 404.5247

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=CS3)S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=CS3)S

InChI

InChI=1S/C15H20N2O5S3/c18-14(16-5-3-10(4-6-16)15(19)20)12-8-11(23)9-17(12)25(21,22)13-2-1-7-24-13/h1-2,7,10-12,23H,3-6,8-9H2,(H,19,20)