2-[(1S,4S,5S)-4-{[(Benzylsulfonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(4-cyanobenzyl)acetamide
10440
Reference
2-[(1S,4S,5S)-4-{[(Benzylsulfonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(4-cyanobenzyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[(Benzylsulfonylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[(4-cyanophenyl)methyl]acetamide
ID: Reference10440
Other Names: NAT28-408325
Formula: C28H35N3O3S
Spectral Data
2-[(1S,4S,5S)-4-{[(Benzylsulfonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(4-cyanobenzyl)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 | 1 |
| No. of Spectra | 2180 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/6/2021 12:47:27 PM |
Identificators
| InChI | InChI=1S/C28H35N3O3S/c1-20(2)27-14-25(15-28(32)30-17-23-11-9-22(16-29)10-12-23)21(3)13-26(27)18-31-35(33,34)19-24-7-5-4-6-8-24/h4-13,20,25-27,31H,14-15,17-19H2,1-3H3,(H,30,32)/t25-,26-,27-/m0/s1 |
| InChI Key | PLULYCBWVSYNHR-QKDODKLFSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNS(=O)(=O)CC3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT28-408325 |