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

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[(2-Cyanophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-phenoxyphenyl)carbamate

ID: Reference9221

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2-deoxy-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-270110

Formula: C26H23N3O7S

Spectral Data

1,4:3,6-Dianhydro-2-{[(2-cyanophenyl)sulfonyl]amino}-2-deoxy-5-O-[(4-phenoxyphenyl)carbamoyl]-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 3285
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 1:27:14 PM
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Identificators

InChI InChI=1S/C26H23N3O7S/c27-14-17-6-4-5-9-23(17)37(31,32)29-21-15-33-25-22(16-34-24(21)25)36-26(30)28-18-10-12-20(13-11-18)35-19-7-2-1-3-8-19/h1-13,21-22,24-25,29H,15-16H2,(H,28,30)/t21-,22+,24+,25+/m0/s1
InChI Key XFKICQTYWLHEFG-WREZULKGSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5C#N
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2-deoxy-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-270110

In Other Databases

PubChem 11884045
ChemSpider 10058373