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-

CAS Registry Number®

1290627-07-4
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CAS Name

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-

Molecular Formula

C16H20N2O4S2

Molecular Mass

368.47

Cite this Page

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-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1290627-07-4 (retrieved 2024-07-08) (CAS RN: 1290627-07-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

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

Canonical SMILES

O=S(=O)(C1=CC=C(C=C1)C)N2CC3=C(C2)C4CNS(=O)(=O)C4CC3

Other Names for this Substance

  • 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-