4-[[4-carboxy-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]disulfanyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[[4-carboxy-1-(4-methylphenyl)sulfonyl-piperidin-4-yl]disulfanyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-[[4-carboxy-1-(p-tolylsulfonyl)-4-piperidyl]disulfanyl]-1-(p-tolylsulfonyl)piperidine-4-carboxylic acid CAS Name: 4-[[4-carboxy-1-(4-methylphenyl)sulfonyl-4-piperidinyl]disulfanyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-[[4-carboxy-1-(4-methylphenyl)sulfonylpiperidin-4-yl]disulfanyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-[(4-carboxy-1-tosyl-4-piperidyl)disulfanyl]-1-tosyl-isonipecotic acid Formula: C26H32N2O8S4 MolecularWeight: 628.80088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)O)SSC3(CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)O)SSC3(CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)O

InChI

InChI=1S/C26H32N2O8S4/c1-19-3-7-21(8-4-19)39(33,34)27-15-11-25(12-16-27,23(29)30)37-38-26(24(31)32)13-17-28(18-14-26)40(35,36)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3,(H,29,30)(H,31,32)