2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide
10457
Reference
2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-methyl-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-methyl-N-(pyridin-3-ylmethyl)acetamide
ID: Reference10457
Other Names: NAT28-408069
Formula: C27H37N3O4S
Spectral Data
2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-methyl-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 | 3649 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/14/2021 9:12:34 AM |
Identificators
| InChI | InChI=1S/C27H37N3O4S/c1-19(2)26-14-22(15-27(31)30(4)18-21-7-6-12-28-16-21)20(3)13-23(26)17-29-35(32,33)25-10-8-24(34-5)9-11-25/h6-13,16,19,22-23,26,29H,14-15,17-18H2,1-5H3/t22-,23-,26-/m0/s1 |
| InChI Key | SLNVCNGGDOMGBY-FXSPECFOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N(C)CC2=CN=CC=C2)C(C)C)CNS(=O)(=O)C3=CC=C(C=C3)OC |
| CAS | |
| Splash | |
| Other Names | NAT28-408069 |