(3R,5S)-1-[(1-Methyl-1H-benzimidazol-2-yl)methyl]-5-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-3-pyrrolidinol

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Systematic / IUPAC Name: (3R,5S)-1-[(1-Methylbenzimidazol-2-yl)methyl]-5-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

ID: Reference9370

Other Names: 3-Pyrrolidinol, 1-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-[3-[[(4-methylphenyl)sulfonyl]methyl]-1,2,4-oxadiazol-5-yl]-, (3R,5S)-;
NAT18-349181

Formula: C23H25N5O4S

Spectral Data

(3R,5S)-1-[(1-Methyl-1H-benzimidazol-2-yl)methyl]-5-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-3-pyrrolidinol 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 1215
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/14/2020 10:49:31 AM
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Identificators

InChI InChI=1S/C23H25N5O4S/c1-15-7-9-17(10-8-15)33(30,31)14-21-25-23(32-26-21)20-11-16(29)12-28(20)13-22-24-18-5-3-4-6-19(18)27(22)2/h3-10,16,20,29H,11-14H2,1-2H3/t16-,20+/m1/s1
InChI Key WSQZZDMQKPIGTI-UZLBHIALSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C3CC(CN3CC4=NC5=CC=CC=C5N4C)O
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Other Names 3-Pyrrolidinol, 1-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-[3-[[(4-methylphenyl)sulfonyl]methyl]-1,2,4-oxadiazol-5-yl]-, (3R,5S)-;
NAT18-349181

In Other Databases

ChemSpider 21386410
PubChem 26744058