1-[1-(4-methoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-mercapto-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-mercapto-1-(4-methoxyphenyl)sulfonyl-prolyl]isonipecotic acid Formula: C18H24N2O6S2 MolecularWeight: 428.52296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N3CCC(CC3)C(=O)O)S

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N3CCC(CC3)C(=O)O)S

InChI

InChI=1S/C18H24N2O6S2/c1-26-13-2-4-15(5-3-13)28(24,25)20-11-14(27)10-16(20)17(21)19-8-6-12(7-9-19)18(22)23/h2-5,12,14,16,27H,6-11H2,1H3,(H,22,23)