1,4:3,6-Dianhydro-2-{[(2-cyanophenyl)sulfonyl]amino}-2,5-dideoxy-5-{[4-(2-furyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(Furan-2-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-cyanobenzenesulfonamide

ID: Reference12566

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320250

Formula: C21H19N5O5S

Spectral Data

1,4:3,6-Dianhydro-2-{[(2-cyanophenyl)sulfonyl]amino}-2,5-dideoxy-5-{[4-(2-furyl)-2-pyrimidinyl]amino}-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 917
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2023 10:46:11 AM
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Identificators

InChI InChI=1S/C21H19N5O5S/c22-10-13-4-1-2-6-18(13)32(27,28)26-16-12-31-19-15(11-30-20(16)19)25-21-23-8-7-14(24-21)17-5-3-9-29-17/h1-9,15-16,19-20,26H,11-12H2,(H,23,24,25)/t15-,16-,19+,20+/m0/s1
InChI Key KULCJVFSPSLTIN-XAMWDVODSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NS(=O)(=O)C3=CC=CC=C3C#N)NC4=NC=CC(=N4)C5=CC=CO5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320250

In Other Databases

ChemSpider 10087618
PubChem 11913295