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Substance Name: 1,2-Benzisothiazol-3(2H)-one, 2-((((17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)methyl)-, 1,1-dioxide
RN: 157231-19-1
InChIKey: QNUCLUWOICXPIY-QETBJLDASA-N

Molecular Formula

  • C26-H29-N-O5-S

Molecular Weight

  • 467.583
 
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Names and Synonyms

Synonym

  • 2-(((17beta-Hydroxyestra-1,3,5(10)-trien-3-yl)oxy)methyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Systematic Name

  • 1,2-Benzisothiazol-3(2H)-one, 2-((((17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)methyl)-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 157231-19-1

System Generated Number

  • 0157231191

Structure Descriptors

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

QNUCLUWOICXPIY-QETBJLDASA-N

Smiles

c1c2C(N(S(c2ccc1)(=O)=O)COc1cc2CC[C@@H]3[C@@H](c2cc1)CC[C@@]1([C@H]3CC[C@@H]1O)C)=O