CAS 1159908-21-0

(4aS,7aS)-Octahydro-6-[(4-methylphenyl)sulfonyl]-4-[(1R)-1-phenylethyl]pyrrolo[3,4-b]-1,4-oxazine

Description:

The chemical substance known as (4aS,7aS)-Octahydro-6-[(4-methylphenyl)sulfonyl]-4-[(1R)-1-phenylethyl]pyrrolo[3,4-b]-1,4-oxazine, with the CAS number 1159908-21-0, is a complex organic compound characterized by its unique bicyclic structure that incorporates both a pyrrolo and an oxazine moiety. This compound features a sulfonyl group attached to a phenyl ring, which contributes to its chemical reactivity and potential applications in medicinal chemistry. The presence of stereocenters in its structure indicates that it may exhibit chirality, which can influence its biological activity and interactions with other molecules. The octahydro framework suggests that it is a saturated compound, likely contributing to its stability and solubility properties. Such compounds are often investigated for their potential therapeutic effects, particularly in the fields of pharmacology and drug design, where modifications to the structure can lead to variations in efficacy and selectivity for biological targets.

Formula: C₂₁H₂₆N₂O₃S

InChI: InChI=1S/C21H26N2O3S/c1-16-8-10-19(11-9-16)27(24,25)22-14-20-21(15-22)26-13-12-23(20)17(2)18-6-4-3-5-7-18/h3-11,17,20-21H,12-15H2,1-2H3/t17-,20+,21+/m1/s1

InChI key: InChIKey=ORFQRBJQBLEMCY-QMMLZNLJSA-N

SMILES: [C@H](C)(N1[C@@]2([C@](CN(S(=O)(=O)C3=CC=C(C)C=C3)C2)(OCC1)[H])[H])C4=CC=CC=C4

Synonyms:

• (4aS,7aS)-Octahydro-6-[(4-methylphenyl)sulfonyl]-4-[(1R)-1-phenylethyl]pyrrolo[3,4-b]-1,4-oxazine
• Pyrrolo[3,4-b]-1,4-oxazine, octahydro-6-[(4-methylphenyl)sulfonyl]-4-[(1R)-1-phenylethyl]-, (4aS,7aS)-