1-{4-[4-(5-{(2S)-1-[4-(Methylsulfonyl)benzyl]-2-pyrrolidinyl}-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-1-piperazinyl}ethanone

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Systematic / IUPAC Name: 1-[4-[4-[5-[(2S)-1-[(4-Methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone

ID: Reference10030

Other Names: Ethanone, 1-[4-[4-[5-[(2S)-1-[[4-(methylsulfonyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]-;
NAT18-428461

Formula: C25H30N6O4S

Spectral Data

1-{4-[4-(5-{(2S)-1-[4-(Methylsulfonyl)benzyl]-2-pyrrolidinyl}-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-1-piperazinyl}ethanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1185
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2020 12:20:00 PM
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Identificators

InChI InChI=1S/C25H30N6O4S/c1-18(32)29-12-14-30(15-13-29)23-16-20(9-10-26-23)24-27-25(35-28-24)22-4-3-11-31(22)17-19-5-7-21(8-6-19)36(2,33)34/h5-10,16,22H,3-4,11-15,17H2,1-2H3/t22-/m0/s1
InChI Key DYNMLXOSJFMMMC-QFIPXVFZSA-N
Canonical SMILES CC(=O)N1CCN(CC1)C2=NC=CC(=C2)C3=NOC(=N3)C4CCCN4CC5=CC=C(C=C5)S(=O)(=O)C
CAS
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Other Names Ethanone, 1-[4-[4-[5-[(2S)-1-[[4-(methylsulfonyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]-;
NAT18-428461

In Other Databases

ChemSpider 29857677
PubChem 51136839