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

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

ID: Reference12819

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-2-(4-piperidinylamino)-;
NAT19-551662

Formula: C17H27N3O4S

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]amino}-2-(4-piperidinylamino)-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 640
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/13/2023 8:52:45 AM
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Identificators

InChI InChI=1S/C17H27N3O4S/c1-12-2-4-14(5-3-12)25(22,23)19-10-16-17(21)15(11-24-16)20-13-6-8-18-9-7-13/h2-5,13,15-21H,6-11H2,1H3/t15-,16-,17+/m1/s1
InChI Key GMBNCCPTXVMVRV-ZACQAIPSSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2C(C(CO2)NC3CCNCC3)O
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-2-(4-piperidinylamino)-;
NAT19-551662

In Other Databases

PubChem 75367099
ChemSpider 32044056