[2-[(4-methylsulfonylpiperazin-1-yl)carbonylamino]-1-(5-triethylsilylfuran-3-yl)ethyl] dodecanoate

Systemtic Name: [2-[(4-methylsulfonylpiperazin-1-yl)carbonylamino]-1-(5-triethylsilylfuran-3-yl)ethyl] dodecanoate Openeye Name: [2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]-1-(5-triethylsilyl-3-furyl)ethyl] dodecanoate CAS Name: dodecanoic acid [2-[[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]amino]-1-(5-triethylsilyl-3-furanyl)ethyl] ester IUPAC Name: [2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]-1-(5-triethylsilylfuran-3-yl)ethyl] dodecanoate Traditional Name: lauric acid [2-[(4-mesylpiperazine-1-carbonyl)amino]-1-(5-triethylsilyl-3-furyl)ethyl] ester Formula: C30H55N3O6SSi MolecularWeight: 613.9247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(CNC(=O)N1CCN(CC1)S(=O)(=O)C)C2=COC(=C2)[Si](CC)(CC)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(CNC(=O)N1CCN(CC1)S(=O)(=O)C)C2=COC(=C2)[Si](CC)(CC)CC

InChI

InChI=1S/C30H55N3O6SSi/c1-6-10-11-12-13-14-15-16-17-18-28(34)39-27(26-23-29(38-25-26)41(7-2,8-3)9-4)24-31-30(35)32-19-21-33(22-20-32)40(5,36)37/h23,25,27H,6-22,24H2,1-5H3,(H,31,35)