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

ID: Reference10951

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[(4-methylphenyl)sulfonyl]amino]-;
NAT6-320248

Formula: C21H22N4O5S

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(2-furyl)-2-pyrimidinyl]amino}-5-{[(4-methylphenyl)sulfonyl]amino}-L-iditol 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 1205
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:38:46 AM
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Identificators

InChI InChI=1S/C21H22N4O5S/c1-13-4-6-14(7-5-13)31(26,27)25-17-12-30-19-16(11-29-20(17)19)24-21-22-9-8-15(23-21)18-3-2-10-28-18/h2-10,16-17,19-20,25H,11-12H2,1H3,(H,22,23,24)/t16-,17-,19+,20+/m0/s1
InChI Key ZSEXNVVTNMCGKW-RAUXBKROSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CO5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[(4-methylphenyl)sulfonyl]amino]-;
NAT6-320248

In Other Databases

ChemSpider 10087301
PubChem 11912978