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

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-(pyridin-4-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide

ID: Reference11447

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-2-[(4-pyridinylmethyl)amino]-;
NAT19-554054

Formula: C18H23N3O4S

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]amino}-2-[(4-pyridinylmethyl)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 554
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2022 10:52:20 AM
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Identificators

InChI InChI=1S/C18H23N3O4S/c1-13-2-4-15(5-3-13)26(23,24)21-11-17-18(22)16(12-25-17)20-10-14-6-8-19-9-7-14/h2-9,16-18,20-22H,10-12H2,1H3/t16-,17-,18+/m1/s1
InChI Key MYAYVOWFHCUNGJ-KURKYZTESA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2C(C(CO2)NCC3=CC=NC=C3)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-2-[(4-pyridinylmethyl)amino]-;
NAT19-554054

In Other Databases

ChEMBL CHEMBL3437538
ChemSpider 29858768
PubChem 75536833