2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(2-propyn-1-yl)acetamide
10454
Reference
2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(2-propyn-1-yl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[[(4-Methoxyphenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-prop-2-ynylacetamide
ID: Reference10454
Other Names: NAT28-405944
Formula: C23H32N2O4S
Spectral Data
2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-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 | 2 |
| No. of Spectra | 4924 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/14/2021 8:48:03 AM |
Identificators
| InChI | InChI=1S/C23H32N2O4S/c1-6-11-24-23(26)14-18-13-22(16(2)3)19(12-17(18)4)15-25-30(27,28)21-9-7-20(29-5)8-10-21/h1,7-10,12,16,18-19,22,25H,11,13-15H2,2-5H3,(H,24,26)/t18-,19-,22-/m0/s1 |
| InChI Key | RJSHBESBPFDJHQ-IPJJNNNSSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC#C)C(C)C)CNS(=O)(=O)C2=CC=C(C=C2)OC |
| CAS | |
| Splash | |
| Other Names | NAT28-405944 |