2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide
10423
Reference
2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)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-(pyridin-3-ylmethyl)acetamide
ID: Reference10423
Other Names: NAT28-405689
Formula: C26H35N3O4S
Spectral Data
2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)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 | 2450 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/30/2021 8:10:02 AM |
Identificators
| InChI | InChI=1S/C26H35N3O4S/c1-18(2)25-13-21(14-26(30)28-16-20-6-5-11-27-15-20)19(3)12-22(25)17-29-34(31,32)24-9-7-23(33-4)8-10-24/h5-12,15,18,21-22,25,29H,13-14,16-17H2,1-4H3,(H,28,30)/t21-,22-,25-/m0/s1 |
| InChI Key | MFCWWKXSXGXPQQ-HWBMXIPRSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNS(=O)(=O)C3=CC=C(C=C3)OC |
| CAS | |
| Splash | |
| Other Names | NAT28-405689 |