SpectraBase Spectrum ID |
6AwrMHRfvyE |
Name |
Acetamide-2,2,2-D3, N-[8-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]octyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
447.263494436 u |
Formula |
C25H33[2D]3N2O3S |
InChI |
InChI=1S/C25H36N2O3S/c1-22-14-16-25(17-15-22)31(29,30)27(21-18-24-12-8-7-9-13-24)20-11-6-4-3-5-10-19-26-23(2)28/h7-9,12-17H,3-6,10-11,18-21H2,1-2H3,(H,26,28)/i2D3 |
InChIKey |
FJCLZCNONSDEPN-BMSJAHLVSA-N |
Molecular Weight |
447.652 g/mol |
SMILES |
C(N(S(C=1C=CC(=CC1)C)(=O)=O)CCCCCCCCNC(=O)C([2D])([2D])[2D])CC=1C=CC=CC1 |