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
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CAS Name
1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxideMolecular Formula
C26H29NO5SMolecular Mass
467.58Cite 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 ) (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.
