2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-({[(4-methylphenyl)sulfonyl]amino}methyl)-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide
10393
Reference
2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-({[(4-methylphenyl)sulfonyl]amino}methyl)-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: N-Methyl-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: Reference10393
Other Names: NAT28-408074
Formula: C27H37N3O3S
Spectral Data
2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-({[(4-methylphenyl)sulfonyl]amino}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 | 1 |
| No. of Spectra | 978 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/23/2021 10:56:56 AM |
Identificators
| InChI | InChI=1S/C27H37N3O3S/c1-19(2)26-14-23(15-27(31)30(5)18-22-7-6-12-28-16-22)21(4)13-24(26)17-29-34(32,33)25-10-8-20(3)9-11-25/h6-13,16,19,23-24,26,29H,14-15,17-18H2,1-5H3/t23-,24-,26-/m0/s1 |
| InChI Key | HAEAXMIAHWSEQS-GNKBHMEESA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC2C=C(C(CC2C(C)C)CC(=O)N(C)CC3=CN=CC=C3)C |
| CAS | |
| Splash | |
| Other Names | NAT28-408074 |