N-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-1-propanesulfonamide

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Systematic / IUPAC Name: N-[(1R,9S)-6-Oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]propane-1-sulfonamide

ID: Reference8866

Other Names: 1-Propanesulfonamide, N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-11-yl]-;
NAT11-325054

Formula: C22H27N3O5S

Spectral Data

N-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-1-propanesulfonamide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1567
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2019 7:13:57 AM
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Identificators

InChI InChI=1S/C22H27N3O5S/c1-2-10-31(28,29)23-19-8-9-20(26)25-13-16-11-17(22(19)25)14-24(12-16)21(27)15-30-18-6-4-3-5-7-18/h3-9,16-17,23H,2,10-15H2,1H3/t16-,17+/m0/s1
InChI Key MUZREEQPHDJAPA-DLBZAZTESA-N
Canonical SMILES CCCS(=O)(=O)NC1=C2C3CC(CN(C3)C(=O)COC4=CC=CC=C4)CN2C(=O)C=C1
CAS
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Other Names 1-Propanesulfonamide, N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-11-yl]-;
NAT11-325054

In Other Databases

ChemSpider 7677561
PubChem 9391205