Setrobuvir
CAS Registry Number®
1071517-39-9
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CAS Name
SetrobuvirMolecular Formula
C25H25FN4O6S2Molecular Mass
560.62Cite 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 ) (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
