5-(Ethylsulfonyl)-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]-1,3-benzoxazole

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Systematic / IUPAC Name: 5-Ethylsulfonyl-2-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference10347

Other Names: Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]-;
NAT31-458104

Formula: C19H27N3O3S

Spectral Data

5-(Ethylsulfonyl)-2-[(3S)-1-(1-methyl-4-piperidinyl)-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 125
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/1/2021 10:36:50 AM
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Identificators

InChI InChI=1S/C19H27N3O3S/c1-3-26(23,24)16-4-5-18-17(12-16)20-19(25-18)14-6-11-22(13-14)15-7-9-21(2)10-8-15/h4-5,12,14-15H,3,6-11,13H2,1-2H3/t14-/m0/s1
InChI Key MLHQPXPDUXVXHR-AWEZNQCLSA-N
Canonical SMILES CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(C3)C4CCN(CC4)C
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Other Names Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]-;
NAT31-458104

In Other Databases

ChemSpider 29850159
PubChem 51137139