2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-({[(4-methylphenyl)sulfonyl]amino}methyl)-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide
10424
Reference
2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-({[(4-methylphenyl)sulfonyl]amino}methyl)-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-2-Methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide
ID: Reference10424
Other Names: NAT28-405694
Formula: C26H35N3O3S
Spectral Data
2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-({[(4-methylphenyl)sulfonyl]amino}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 | 2 |
| No. of Spectra | 4557 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/30/2021 8:20:55 AM |
Identificators
| InChI | InChI=1S/C26H35N3O3S/c1-18(2)25-13-22(14-26(30)28-16-21-6-5-11-27-15-21)20(4)12-23(25)17-29-33(31,32)24-9-7-19(3)8-10-24/h5-12,15,18,22-23,25,29H,13-14,16-17H2,1-4H3,(H,28,30)/t22-,23-,25-/m0/s1 |
| InChI Key | QIOFGSRCMYVPPZ-LSQMVHIFSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC2C=C(C(CC2C(C)C)CC(=O)NCC3=CN=CC=C3)C |
| CAS | |
| Splash | |
| Other Names | NAT28-405694 |