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

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

ID: Reference12581

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319660

Formula: C21H25N5O4S

Spectral Data

1,4:3,6-Dianhydro-2-{[(2-cyanophenyl)sulfonyl]amino}-2,5-dideoxy-5-{[4-(2-methyl-2-propanyl)-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 1597
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2023 2:49:48 PM
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Identificators

InChI InChI=1S/C21H25N5O4S/c1-21(2,3)17-8-9-23-20(25-17)24-14-11-29-19-15(12-30-18(14)19)26-31(27,28)16-7-5-4-6-13(16)10-22/h4-9,14-15,18-19,26H,11-12H2,1-3H3,(H,23,24,25)/t14-,15-,18+,19+/m0/s1
InChI Key RIGQHIIQZJMQRF-ILRDRHFLSA-N
Canonical SMILES CC(C)(C)C1=NC(=NC=C1)NC2COC3C2OCC3NS(=O)(=O)C4=CC=CC=C4C#N
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319660

In Other Databases

ChemSpider 10087617
PubChem 11913294