1,4-Anhydro-2,5-dideoxy-2-{[4-(methylsulfonyl)benzyl]amino}-5-[(2-thienylcarbonyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide

ID: Reference11350

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[(2-thienylcarbonyl)amino]-;
NAT19-551326

Formula: C18H22N2O5S2

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-{[4-(methylsulfonyl)benzyl]amino}-5-[(2-thienylcarbonyl)amino]-D-arabinitol 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 2390
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2022 6:51:33 AM
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Identificators

InChI InChI=1S/C18H22N2O5S2/c1-27(23,24)13-6-4-12(5-7-13)9-19-14-11-25-15(17(14)21)10-20-18(22)16-3-2-8-26-16/h2-8,14-15,17,19,21H,9-11H2,1H3,(H,20,22)/t14-,15-,17+/m1/s1
InChI Key DAWVAVHPDPOFRD-INMHGKMJSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CNC2COC(C2O)CNC(=O)C3=CC=CS3
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[(2-thienylcarbonyl)amino]-;
NAT19-551326

In Other Databases

PubChem 75536604
ChemSpider 29858501