Setrobuvir

CAS Registry Number®

1071517-39-9

CAS Name

Setrobuvir

Molecular Formula

C25H25FN4O6S2

Molecular Mass

560.62

Cite this Page

Setrobuvir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1071517-39-9 (retrieved 2024-11-21) (CAS RN: 1071517-39-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1

InChIKey

InChIKey=DEKOYVOWOVJMPM-RLHIPHHXSA-N

SMILES

C(N1[C@@]2([C@@]([C@@]3(C[C@]2(CC3)[H])[H])(C(O)=C(C1=O)C=4NC=5C(S(=O)(=O)N4)=CC(NS(C)(=O)=O)=CC5)[H])[H])C6=CC=C(F)C=C6

Canonical SMILES

O=C1C(C2=NS(=O)(=O)C3=CC(=CC=C3N2)NS(=O)(=O)C)=C(O)C4C5CCC(C5)C4N1CC6=CC=C(F)C=C6

Other Names for this Substance

  • Methanesulfonamide, N-[3-[(4aR,5S,8R,8aS)-1-[(4-fluorophenyl)methyl]-1,2,4a,5,6,7,8,8a-octahydro-4-hydroxy-2-oxo-5,8-methanoquinolin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl]-
  • N-[3-[(4aR,5S,8R,8aS)-1-[(4-Fluorophenyl)methyl]-1,2,4a,5,6,7,8,8a-octahydro-4-hydroxy-2-oxo-5,8-methanoquinolin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide
  • Setrobuvir

CAS INSIGHTSTM
Targeted protein degrader structure, illustration