1,4-Anhydro-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]amino}-2-[(3-pyridinylmethyl)amino]-D-arabinitol

enlarge

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

ID: Reference11568

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-2-[(3-pyridinylmethyl)amino]-;
NAT19-551678

Formula: C18H23N3O4S

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]amino}-2-[(3-pyridinylmethyl)amino]-D-arabinitol 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 588
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/15/2022 7:08:40 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H23N3O4S/c1-13-4-6-15(7-5-13)26(23,24)21-11-17-18(22)16(12-25-17)20-10-14-3-2-8-19-9-14/h2-9,16-18,20-22H,10-12H2,1H3/t16-,17-,18+/m1/s1
InChI Key ALUMZSNAEQXVDR-KURKYZTESA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2C(C(CO2)NCC3=CN=CC=C3)O
CAS
Splash
Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-2-[(3-pyridinylmethyl)amino]-;
NAT19-551678

In Other Databases

PubChem 75536714
ChEMBL CHEMBL3437537
ChemSpider 29858629