Systematic / IUPAC Name: 1-[4-[5-[(2S)-1-[(4-Methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperidine-4-carboxamide
ID: Reference9712
Other Names:
4-Piperidinecarboxamide, 1-[4-[5-[(2S)-1-[[4-(methylsulfonyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-;
NAT18-428974
Formula: C25H30N6O4S
1-[4-(5-{(2S)-1-[4-(Methylsulfonyl)benzyl]-2-pyrrolidinyl}-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-4-piperidinecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 2 |
No. of Spectra | 4373 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/29/2020 7:27:44 AM |
InChI | InChI=1S/C25H30N6O4S/c1-36(33,34)20-6-4-17(5-7-20)16-31-12-2-3-21(31)25-28-24(29-35-25)19-8-11-27-22(15-19)30-13-9-18(10-14-30)23(26)32/h4-8,11,15,18,21H,2-3,9-10,12-14,16H2,1H3,(H2,26,32)/t21-/m0/s1 |
InChI Key | SYPJTTJYGNSMGC-NRFANRHFSA-N |
Canonical SMILES | CS(=O)(=O)C1=CC=C(C=C1)CN2CCCC2C3=NC(=NO3)C4=CC(=NC=C4)N5CCC(CC5)C(=O)N |
CAS | |
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Other Names |
4-Piperidinecarboxamide, 1-[4-[5-[(2S)-1-[[4-(methylsulfonyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-; NAT18-428974 |