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

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-6-(5-Phenoxytetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-cyanobenzenesulfonamide

ID: Reference12493

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-(5-phenoxy-1H-tetrazol-1-yl)-;
NAT6-298160

Formula: C20H18N6O5S

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2785
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/27/2023 2:22:43 PM
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Identificators

InChI InChI=1S/C20H18N6O5S/c21-10-13-6-4-5-9-17(13)32(27,28)23-15-11-29-19-16(12-30-18(15)19)26-20(22-24-25-26)31-14-7-2-1-3-8-14/h1-9,15-16,18-19,23H,11-12H2/t15-,16-,18+,19+/m0/s1
InChI Key CONNEZYZJWWXOW-RNIPGJKVSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5C#N
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-(5-phenoxy-1H-tetrazol-1-yl)-;
NAT6-298160

In Other Databases

ChemSpider 10060518
PubChem 11886195