[1-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-piperidin-3-yl]-2,2-bis(methylsulfanyl)ethyl] ethanoate

Systemtic Name: [1-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-piperidin-3-yl]-2,2-bis(methylsulfanyl)ethyl] ethanoate Openeye Name: [2,2-bis(methylsulfanyl)-1-[2-oxo-1-(p-tolylsulfonyl)-3-piperidyl]ethyl] acetate CAS Name: acetic acid [1-[1-(4-methylphenyl)sulfonyl-2-oxo-3-piperidinyl]-2,2-bis(methylthio)ethyl] ester IUPAC Name: [1-[1-(4-methylphenyl)sulfonyl-2-oxopiperidin-3-yl]-2,2-bis(methylsulfanyl)ethyl] acetate Traditional Name: acetic acid [1-(2-keto-1-tosyl-3-piperidyl)-2,2-bis(methylthio)ethyl] ester Formula: C18H25NO5S3 MolecularWeight: 431.5898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2=O)C(C(SC)SC)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2=O)C(C(SC)SC)OC(=O)C

InChI

InChI=1S/C18H25NO5S3/c1-12-7-9-14(10-8-12)27(22,23)19-11-5-6-15(17(19)21)16(24-13(2)20)18(25-3)26-4/h7-10,15-16,18H,5-6,11H2,1-4H3