| SpectraBase Spectrum ID |
Bz4DFKMgEft |
| Name |
Methyl 5-(cyanomethyl)-4-{[(4'-methylphenyl)sulfonyl]amino}pentanoate |
| Alternate Name(s) |
(S) Methyl 5-(cyanomethyl)-4-{[(4'-methylphenyl)sulfonyl]amino}pentanoate |
| Comments |
Note: The molecular formula of the structure shown is C15H20N2O4S - which differs from the formula reported for the mass spectrum (C14H16N2O4S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2O4S |
| InChI |
InChI=1S/C15H20N2O4S/c1-12-5-8-14(9-6-12)22(19,20)17-13(4-3-11-16)7-10-15(18)21-2/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3 |
| InChIKey |
WSZPQKHMMKSIAZ-UHFFFAOYSA-N |
| Molecular Weight |
324.395 g/mol |
| SMILES |
N(S(=O)(=O)c1ccc(cc1)C)C(CCC(=O)OC)CCC#N |
| SPLASH |
splash10-0596-9810000000-d64cef1e7e9177427c60 |
| Source of Spectrum |
AN-106-619-24 |
| Wiley ID |
747698 |
![Methyl 5-(cyanomethyl)-4-{[(4'-methylphenyl)sulfonyl]amino}pentanoate](/api/spectrum/Bz4DFKMgEft/structure.png?h=300&w=458 "Methyl 5-(cyanomethyl)-4-{[(4'-methylphenyl)sulfonyl]amino}pentanoate")
