5-O-(2-Amino-2-oxoethyl)-1,4:3,6-dianhydro-2-deoxy-2-{[(4-methylphenyl)sulfonyl]amino}-D-glucitol

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Systematic / IUPAC Name: 2-[[(3S,3aR,6R,6aS)-3-[(4-Methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide

ID: Reference8965

Other Names: D-Glucitol, 5-O-(2-amino-2-oxoethyl)-1,4:3,6-dianhydro-2-deoxy-2-[[(4-methylphenyl)sulfonyl]amino]-;
NAT6-269390

Formula: C15H20N2O6S

Spectral Data

5-O-(2-Amino-2-oxoethyl)-1,4:3,6-dianhydro-2-deoxy-2-{[(4-methylphenyl)sulfonyl]amino}-D-glucitol 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 4187
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/26/2019 6:52:49 AM
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Identificators

InChI InChI=1S/C15H20N2O6S/c1-9-2-4-10(5-3-9)24(19,20)17-11-6-22-15-12(7-23-14(11)15)21-8-13(16)18/h2-5,11-12,14-15,17H,6-8H2,1H3,(H2,16,18)/t11-,12+,14+,15+/m0/s1
InChI Key MOQCSOJSEYUUCT-CTHBEMJXSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2COC3C2OCC3OCC(=O)N
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Other Names D-Glucitol, 5-O-(2-amino-2-oxoethyl)-1,4:3,6-dianhydro-2-deoxy-2-[[(4-methylphenyl)sulfonyl]amino]-;
NAT6-269390

In Other Databases

PubChem 11883286
ChemSpider 10057614