1,4-Anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]amino}-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-4-(Cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide

ID: Reference11501

Other Names: D-Arabinitol, 1,4-anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-;
NAT19-551657

Formula: C18H28N2O4S

Spectral Data

1,4-Anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]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 2115
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/23/2022 2:23:47 PM
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Identificators

InChI InChI=1S/C18H28N2O4S/c1-13-7-9-15(10-8-13)25(22,23)19-11-17-18(21)16(12-24-17)20-14-5-3-2-4-6-14/h7-10,14,16-21H,2-6,11-12H2,1H3/t16-,17-,18+/m1/s1
InChI Key GNDWIYXZDHBNTA-KURKYZTESA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2C(C(CO2)NC3CCCCC3)O
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Other Names D-Arabinitol, 1,4-anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-;
NAT19-551657

In Other Databases

PubChem 75536699
ChemSpider 29858614