1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide

CAS Registry Number®

157231-19-1

CAS Name

1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide

Molecular Formula

C26H29NO5S

Molecular Mass

467.58

Cite this Page

1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=157231-19-1 (retrieved 2024-11-22) (CAS RN: 157231-19-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H29NO5S/c1-26-13-12-19-18-9-7-17(14-16(18)6-8-20(19)22(26)10-11-24(26)28)32-15-27-25(29)21-4-2-3-5-23(21)33(27,30)31/h2-5,7,9,14,19-20,22,24,28H,6,8,10-13,15H2,1H3/t19-,20-,22+,24+,26+/m1/s1

InChIKey

InChIKey=QNUCLUWOICXPIY-QETBJLDASA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OCN5S(=O)(=O)C=6C(C5=O)=CC=CC6)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=C1C=2C=CC=CC2S(=O)(=O)N1COC3=CC=C4C(=C3)CCC5C4CCC6(C)C(O)CCC56

Other Names for this Substance

  • 1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide
  • Estrane, 1,2-benzisothiazol-3(2H)-one deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration