CAS 1346598-40-0

1,1-Dimethylethyl N-[2-[4-[[[[(trans-4-hydroxycyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]carbamate

Description:

1,1-Dimethylethyl N-[2-[4-[[[[(trans-4-hydroxycyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]carbamate, identified by its CAS number 1346598-40-0, is a complex organic compound characterized by its multi-functional groups, including carbamate and sulfonamide moieties. This compound features a dimethyl group that contributes to its steric bulk, influencing its solubility and reactivity. The presence of a hydroxycyclohexyl group suggests potential for hydrogen bonding, which can affect its physical properties and interactions in biological systems. Additionally, the compound's structure indicates it may exhibit specific biological activity, possibly as a pharmaceutical agent, due to the presence of amino and sulfonyl groups that can participate in various biochemical interactions. Its synthesis and stability are likely influenced by the steric and electronic effects of the substituents, making it a subject of interest in medicinal chemistry and drug development. Overall, this compound exemplifies the complexity and diversity of organic molecules used in therapeutic applications.

Formula: C₂₀H₃₁N₃O₆S

InChI: InChI=1/C20H31N3O6S/c1-20(2,3)29-19(26)21-13-12-14-4-10-17(11-5-14)30(27,28)23-18(25)22-15-6-8-16(24)9-7-15/h4-5,10-11,15-16,24H,6-9,12-13H2,1-3H3,(H,21,26)(H2,22,23,25)/t15-,16-

InChI key: InChIKey=HAVZKVCXNPLEOM-WKILWMFINA-N

SMILES: S(NC(N[C@@H]1CC[C@@H](O)CC1)=O)(=O)(=O)C2=CC=C(CCNC(OC(C)(C)C)=O)C=C2

Synonyms:

• 1,1-Dimethylethyl N-[2-[4-[[[[(trans-4-hydroxycyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]carbamate
• Carbamic acid, N-[2-[4-[[[[(trans-4-hydroxycyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-, 1,1-dimethylethyl ester