N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(2-thienylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetamide
10410
Reference
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(2-thienylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetamide Structure
Systematic / IUPAC Name: N-[(4-Cyanophenyl)methyl]-2-[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohex-2-en-1-yl]acetamide
ID: Reference10410
Other Names: NAT28-408327
Formula: C25H31N3O3S2
Spectral Data
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(2-thienylsulfonyl)amino]methyl}-2-cyclohexen-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 | 3781 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/30/2021 10:51:53 AM |
Identificators
| InChI | InChI=1S/C25H31N3O3S2/c1-17(2)23-12-21(13-24(29)27-15-20-8-6-19(14-26)7-9-20)18(3)11-22(23)16-28-33(30,31)25-5-4-10-32-25/h4-11,17,21-23,28H,12-13,15-16H2,1-3H3,(H,27,29)/t21-,22-,23-/m0/s1 |
| InChI Key | IAEGSGWIOPFALO-VABKMULXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNS(=O)(=O)C3=CC=CS3 |
| CAS | |
| Splash | |
| Other Names | NAT28-408327 |