5-(Ethylsulfonyl)-2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole

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Systematic / IUPAC Name: 5-Ethylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference10348

Other Names: Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-;
NAT31-458108

Formula: C19H21N3O3S

Spectral Data

5-(Ethylsulfonyl)-2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole 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 1050
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/1/2021 10:37:49 AM
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Identificators

InChI InChI=1S/C19H21N3O3S/c1-2-26(23,24)16-6-7-18-17(11-16)21-19(25-18)14-8-10-22(12-14)13-15-5-3-4-9-20-15/h3-7,9,11,14H,2,8,10,12-13H2,1H3/t14-/m0/s1
InChI Key JUQWACAANSKJFZ-AWEZNQCLSA-N
Canonical SMILES CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC=CC=N4
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Other Names Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-;
NAT31-458108

In Other Databases

PubChem 51137140
ChEMBL CHEMBL3437374
ChemSpider 29850160