CAS 1290627-07-4

2H-Pyrrolo[3,4-e][1,2]benzisothiazole, 1,3a,4,5,6,7,8,8b-octahydro-7-[(4-methylphenyl)sulfonyl]-, 3,3-dioxide, (3aR,8bR)-rel-

Description:

2H-Pyrrolo[3,4-e][1,2]benzisothiazole, specifically the compound with the CAS number 1290627-07-4, is a complex organic molecule characterized by its bicyclic structure that incorporates both a pyrrole and a benzisothiazole moiety. This compound features a sulfonyl group attached to a methylphenyl substituent, contributing to its chemical reactivity and potential biological activity. The presence of the octahydro framework indicates that it is a saturated compound, which may influence its solubility and stability. The specific stereochemistry, denoted by the (3aR,8bR) configuration, suggests that the molecule has defined spatial arrangements that could be crucial for its interaction with biological targets. Additionally, the 3,3-dioxide functional group implies the presence of two double-bonded oxygen atoms, which can enhance the compound's reactivity and potential applications in medicinal chemistry. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in drug discovery and development.

Formula: C₁₆H₂₀N₂O₄S₂

InChI: InChI=1/C16H20N2O4S2/c1-11-2-5-13(6-3-11)24(21,22)18-9-12-4-7-16-14(15(12)10-18)8-17-23(16,19)20/h2-3,5-6,14,16-17H,4,7-10H2,1H3/t14-,16+/s2

InChI key: InChIKey=BLAHAZOGZYPHSN-AQPSWHTGNA-N

SMILES: S(=O)(=O)(N1CC=2[C@]3([C@](S(=O)(=O)NC3)(CCC2C1)[H])[H])C4=CC=C(C)C=C4

Synonyms:

• 2H-Pyrrolo[3,4-e][1,2]benzisothiazole, 1,3a,4,5,6,7,8,8b-octahydro-7-[(4-methylphenyl)sulfonyl]-, 3,3-dioxide, (3aR,8bR)-rel-

Cis-7-(Toluene-4-Sulfonyl)-1,3A,4,5,6,7,8,8B-Octahydro-2H-3-Thia-2,7-Diaza-As-Indacene 3,3-Dioxide

CAS: 1290627-07-4

Formula: C₁₆H₂₀N₂O₄S₂

Purity: 95%

Molecular weight: 368.4710

Ref: IN-DA00HRWE