1,4:3,6-Dianhydro-2-{[(2-cyanophenyl)sulfonyl]amino}-2-deoxy-5-O-methyl-D-glucitol

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Systematic / IUPAC Name: N-[(3S,3aR,6R,6aS)-6-Methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-cyanobenzenesulfonamide

ID: Reference8949

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2-deoxy-5-O-methyl-;
NAT6-269590

Formula: C14H16N2O5S

Spectral Data

1,4:3,6-Dianhydro-2-{[(2-cyanophenyl)sulfonyl]amino}-2-deoxy-5-O-methyl-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 2078
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:13:47 AM
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Identificators

InChI InChI=1S/C14H16N2O5S/c1-19-11-8-21-13-10(7-20-14(11)13)16-22(17,18)12-5-3-2-4-9(12)6-15/h2-5,10-11,13-14,16H,7-8H2,1H3/t10-,11+,13+,14+/m0/s1
InChI Key BPJWEMNBKFUPAG-OIMNJJJWSA-N
Canonical SMILES COC1COC2C1OCC2NS(=O)(=O)C3=CC=CC=C3C#N
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2-deoxy-5-O-methyl-;
NAT6-269590

In Other Databases

PubChem 11883311
ChemSpider 10057639