2-[(1S,4S,5S)-4-({[(4-Cyanophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
10432
Reference
2-[(1S,4S,5S)-4-({[(4-Cyanophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[2-(dimethylamino)ethyl]acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[[(4-Cyanophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
ID: Reference10432
Other Names: NAT28-403660
Formula: C24H36N4O3S
Spectral Data
2-[(1S,4S,5S)-4-({[(4-Cyanophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[2-(dimethylamino)ethyl]acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 2 |
| No. of Spectra | 3192 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/6/2021 2:24:17 PM |
Identificators
| InChI | InChI=1S/C24H36N4O3S/c1-17(2)23-13-20(14-24(29)26-10-11-28(4)5)18(3)12-21(23)16-27-32(30,31)22-8-6-19(15-25)7-9-22/h6-9,12,17,20-21,23,27H,10-11,13-14,16H2,1-5H3,(H,26,29)/t20-,21-,23-/m0/s1 |
| InChI Key | NFMLSKNMPXPGEL-FUDKSRODSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCCN(C)C)C(C)C)CNS(=O)(=O)C2=CC=C(C=C2)C#N |
| CAS | |
| Splash | |
| Other Names | NAT28-403660 |