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

Systemtic Name: 1-[1-(4-tert-butylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(4-tert-butylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(4-tert-butylphenyl)sulfonyl-4-mercapto-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-tert-butylphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(4-tert-butylphenyl)sulfonyl-4-mercapto-prolyl]isonipecotic acid Formula: C21H30N2O5S2 MolecularWeight: 454.6033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S2/c1-21(2,3)15-4-6-17(7-5-15)30(27,28)23-13-16(29)12-18(23)19(24)22-10-8-14(9-11-22)20(25)26/h4-7,14,16,18,29H,8-13H2,1-3H3,(H,25,26)