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

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

ID: Reference10813

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(4-methylphenyl)sulfonyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-269715

Formula: C20H28N2O6S

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-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
No. of Spectral Trees 1
No. of Spectra 1800
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2021 8:27:08 AM
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Identificators

InChI InChI=1S/C20H28N2O6S/c1-13-7-9-15(10-8-13)29(24,25)22-16-11-26-19-17(12-27-18(16)19)28-20(23)21-14-5-3-2-4-6-14/h7-10,14,16-19,22H,2-6,11-12H2,1H3,(H,21,23)/t16-,17+,18+,19+/m0/s1
InChI Key MPUSDUINYSWCIR-WJFTUGDTSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2COC3C2OCC3OC(=O)NC4CCCCC4
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(4-methylphenyl)sulfonyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-269715

In Other Databases

ChemSpider 21384135
PubChem 40586240