SpectraBase Spectrum ID |
GpGsTLUaj5e |
Name |
N-{(2S)-2-Iodo-3-perfluoroethylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C15H19F5INO3S |
InChI |
InChI=1S/C15H19F5INO3S/c1-12(2)8-3-4-13(12)7-26(24,25)22(10(13)5-8)11(23)9(21)6-14(16,17)15(18,19)20/h8-10H,3-7H2,1-2H3/t8-,9+,10+,13-/m1/s1 |
InChIKey |
HOXCEJNYNDPCMF-KEPMVKOISA-N |
Molecular Weight |
515.277 g/mol |
SMILES |
C(F)(F)(C[C@@](C(N1S(C[C@]23CC[C@@](C3(C)C)(C[C@]12[H])[H])(=O)=O)=O)(I)[H])C(F)(F)F |
SPLASH |
splash10-00e9-0913000000-ec05eca7c56e2f732edc |
Source of Spectrum |
A1-9-2513/SMS6-16_minorisomer |
Synonyms |
(S)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-4,4,5,5,5-pentafluoro-2-iodopentan-1-one |
Wiley ID |
1758182 |