| SpectraBase Spectrum ID |
I7BfRQMomrj |
| Name |
(S)-N-((4-Chlorophenyl)(3-methoxyphenyl)methyl)-4-methylbenzenesulfonamide |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.085242379 u |
| Formula |
C21H20ClNO3S |
| InChI |
InChI=1S/C21H20ClNO3S/c1-15-6-12-20(13-7-15)27(24,25)23-21(16-8-10-18(22)11-9-16)17-4-3-5-19(14-17)26-2/h3-14,21,23H,1-2H3/t21-/m0/s1 |
| InChIKey |
YSSLDIVBEHVSRM-NRFANRHFSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201605244 |
| Molecular Weight |
401.908 g/mol |
| Optical Rotation |
[a]D23 = +8.0 (c = 0.10 g/dL, CH2Cl2) |
| Reported Formula |
C21H20ClNO3S |
| SMILES |
N([C@@](C=1C=CC(=CC1)Cl)(C1=CC(=CC=C1)OC)[H])S(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-0002-0090000000-e88944a68ded8cc6f516 |
| Sample Comments |
>99% ee |
| Source of Spectrum |
QE-23-SM51-4aC (DOI: 10.1002/chem.201605244) |
| Wiley ID |
1903675 |
