2-[(1S,4S,5S)-4-({[(4-Fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[2-(4-morpholinyl)ethyl]acetamide
10402
Reference
2-[(1S,4S,5S)-4-({[(4-Fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[2-(4-morpholinyl)ethyl]acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[[(4-Fluorophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
ID: Reference10402
Other Names: NAT28-402202
Formula: C25H38FN3O4S
Spectral Data
2-[(1S,4S,5S)-4-({[(4-Fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[2-(4-morpholinyl)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 | 4080 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/23/2021 11:22:28 AM |
Identificators
| InChI | InChI=1S/C25H38FN3O4S/c1-18(2)24-15-20(16-25(30)27-8-9-29-10-12-33-13-11-29)19(3)14-21(24)17-28-34(31,32)23-6-4-22(26)5-7-23/h4-7,14,18,20-21,24,28H,8-13,15-17H2,1-3H3,(H,27,30)/t20-,21-,24-/m0/s1 |
| InChI Key | NXQBAPABKJJWQP-HFMPRLQTSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCCN2CCOCC2)C(C)C)CNS(=O)(=O)C3=CC=C(C=C3)F |
| CAS | |
| Splash | |
| Other Names | NAT28-402202 |