2-[(1S,4S,5S)-4-{[(Benzylsulfonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(2-propyn-1-yl)acetamide
13065
Reference
2-[(1S,4S,5S)-4-{[(Benzylsulfonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(2-propyn-1-yl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[(Benzylsulfonylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-prop-2-ynylacetamide
ID: Reference13065
Other Names: NAT5-396495
Formula: C23H32N2O3S
Spectral Data
2-[(1S,4S,5S)-4-{[(Benzylsulfonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(2-propyn-1-yl)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 | 1633 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/19/2024 2:33:49 PM |
Identificators
| InChI | InChI=1S/C23H32N2O3S/c1-5-11-24-23(26)14-20-13-22(17(2)3)21(12-18(20)4)15-25-29(27,28)16-19-9-7-6-8-10-19/h1,6-10,12,17,20-22,25H,11,13-16H2,2-4H3,(H,24,26)/t20-,21-,22-/m0/s1 |
| InChI Key | LNLZSWBADSCWCE-FKBYEOEOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC#C)C(C)C)CNS(=O)(=O)CC2=CC=CC=C2 |
| CAS | |
| Splash | |
| Other Names | NAT5-396495 |