2-{[(4-Acetamidophenyl)sulfonyl]amino}-1,4:3,6-dianhydro-5-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-2,5-dideoxy-L-iditol

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Systematic / IUPAC Name: N-[4-[[(3S,3aR,6S,6aR)-3-[[4-(1,3-Benzodioxol-5-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]sulfamoyl]phenyl]acetamide

ID: Reference12241

Other Names: L-Iditol, 2-[[[4-(acetylamino)phenyl]sulfonyl]amino]-1,4:3,6-dianhydro-5-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2,5-dideoxy-;
NAT6-319058

Formula: C25H25N5O7S

Spectral Data

2-{[(4-Acetamidophenyl)sulfonyl]amino}-1,4:3,6-dianhydro-5-{[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino}-2,5-dideoxy-L-iditol 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 1863
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:16:37 PM
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Identificators

InChI InChI=1S/C25H25N5O7S/c1-14(31)27-16-3-5-17(6-4-16)38(32,33)30-20-12-35-23-19(11-34-24(20)23)29-25-26-9-8-18(28-25)15-2-7-21-22(10-15)37-13-36-21/h2-10,19-20,23-24,30H,11-13H2,1H3,(H,27,31)(H,26,28,29)/t19-,20-,23+,24+/m0/s1
InChI Key OLQZUEKMPDQCSW-UWXQAFAOSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC6=C(C=C5)OCO6
CAS
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Other Names L-Iditol, 2-[[[4-(acetylamino)phenyl]sulfonyl]amino]-1,4:3,6-dianhydro-5-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]amino]-2,5-dideoxy-;
NAT6-319058

In Other Databases

ChemSpider 10086511
PubChem 11912188