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

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

ID: Reference12016

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(2,5-dimethoxyphenyl)sulfonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269912

Formula: C22H23F3N2O8S

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2784
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/2/2022 8:43:50 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H23F3N2O8S/c1-31-14-6-7-16(32-2)18(9-14)36(29,30)27-15-10-33-20-17(11-34-19(15)20)35-21(28)26-13-5-3-4-12(8-13)22(23,24)25/h3-9,15,17,19-20,27H,10-11H2,1-2H3,(H,26,28)/t15-,17+,19+,20+/m0/s1
InChI Key MFHCDCYPSUCWIF-JQERWDHBSA-N
Canonical SMILES COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(2,5-dimethoxyphenyl)sulfonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269912

In Other Databases

PubChem 11883409
ChemSpider 10057737