2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(phenylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide
10412
Reference
2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(phenylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Benzenesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
ID: Reference10412
Other Names: NAT28-408063
Formula: C26H35N3O3S
Spectral Data
2-[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(phenylsulfonyl)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 | 2 |
| No. of Spectra | 2763 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/30/2021 11:18:40 AM |
Identificators
| InChI | InChI=1S/C26H35N3O3S/c1-19(2)25-14-22(15-26(30)29(4)18-21-9-8-12-27-16-21)20(3)13-23(25)17-28-33(31,32)24-10-6-5-7-11-24/h5-13,16,19,22-23,25,28H,14-15,17-18H2,1-4H3/t22-,23-,25-/m0/s1 |
| InChI Key | JIQXUCBEGWFVEI-LSQMVHIFSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N(C)CC2=CN=CC=C2)C(C)C)CNS(=O)(=O)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT28-408063 |