(6R)-6-[4-(Methylsulfonyl)phenoxy]-N-(3-pyridinyl)-1,4-oxazepane-4-carboxamide

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Systematic / IUPAC Name: (6R)-6-(4-Methylsulfonylphenoxy)-N-pyridin-3-yl-1,4-oxazepane-4-carboxamide

ID: Reference12829

Other Names: NAT47-552222

Formula: C18H21N3O5S

Spectral Data

(6R)-6-[4-(Methylsulfonyl)phenoxy]-N-(3-pyridinyl)-1,4-oxazepane-4-carboxamide 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 630
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/20/2023 7:39:33 AM
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Identificators

InChI InChI=1S/C18H21N3O5S/c1-27(23,24)17-6-4-15(5-7-17)26-16-12-21(9-10-25-13-16)18(22)20-14-3-2-8-19-11-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,20,22)/t16-/m1/s1
InChI Key VPMYOKXCTUPHTG-MRXNPFEDSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)OC2CN(CCOC2)C(=O)NC3=CN=CC=C3
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Other Names NAT47-552222

In Other Databases

ChemSpider 29855465
PubChem 75367694