1,4:3,6-Dianhydro-2,5-dideoxy-2-{[(4-methylphenyl)sulfonyl]amino}-5-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-6-[5-[4-(1,2,4-Triazol-1-yl)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methylbenzenesulfonamide

ID: Reference12645

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(4-methylphenyl)sulfonyl]amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298560

Formula: C22H22N8O5S

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[(4-methylphenyl)sulfonyl]amino}-5-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-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 1243
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/10/2023 1:16:12 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H22N8O5S/c1-14-2-8-17(9-3-14)36(31,32)26-18-10-33-21-19(11-34-20(18)21)30-22(25-27-28-30)35-16-6-4-15(5-7-16)29-13-23-12-24-29/h2-9,12-13,18-21,26H,10-11H2,1H3/t18-,19-,20+,21+/m0/s1
InChI Key CEJPDIVASVONCY-UWHLTILDSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2COC3C2OCC3N4C(=NN=N4)OC5=CC=C(C=C5)N6C=NC=N6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(4-methylphenyl)sulfonyl]amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298560

In Other Databases

ChemSpider 10060592
PubChem 11886269