[2-[(4-methylsulfonylpiperazin-1-yl)carbonylamino]-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl] dodecanoate

Systemtic Name: [2-[(4-methylsulfonylpiperazin-1-yl)carbonylamino]-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl] dodecanoate Openeye Name: [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]ethyl] dodecanoate CAS Name: dodecanoic acid [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-[[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]amino]ethyl] ester IUPAC Name: [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]ethyl] dodecanoate Traditional Name: lauric acid [1-(2-hydroxy-5-keto-2H-furan-3-yl)-2-[(4-mesylpiperazine-1-carbonyl)amino]ethyl] ester Formula: C24H41N3O8S MolecularWeight: 531.66264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(CNC(=O)N1CCN(CC1)S(=O)(=O)C)C2=CC(=O)OC2O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(CNC(=O)N1CCN(CC1)S(=O)(=O)C)C2=CC(=O)OC2O

InChI

InChI=1S/C24H41N3O8S/c1-3-4-5-6-7-8-9-10-11-12-21(28)34-20(19-17-22(29)35-23(19)30)18-25-24(31)26-13-15-27(16-14-26)36(2,32)33/h17,20,23,30H,3-16,18H2,1-2H3,(H,25,31)