N-(4-{[(1R,9S)-11-(4-Fluorobenzyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl}phenyl)acetamide

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Systematic / IUPAC Name: N-[4-[[(1R,9S)-11-[(4-Fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide

ID: Reference10090

Other Names: Acetamide, N-[4-[[[(1R,5S)-3-[(4-fluorophenyl)methyl]-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]amino]sulfonyl]phenyl]-;
NAT11-295077

Formula: C26H27FN4O4S

Spectral Data

N-(4-{[(1R,9S)-11-(4-Fluorobenzyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl}phenyl)acetamide 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 985
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/20/2020 9:27:28 AM
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Identificators

InChI InChI=1S/C26H27FN4O4S/c1-17(32)28-22-6-8-23(9-7-22)36(34,35)29-24-10-11-25-20-12-19(15-31(25)26(24)33)14-30(16-20)13-18-2-4-21(27)5-3-18/h2-11,19-20,29H,12-16H2,1H3,(H,28,32)/t19-,20+/m0/s1
InChI Key FAWVQCCSODKGRI-VQTJNVASSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C3C4CC(CN(C4)CC5=CC=C(C=C5)F)CN3C2=O
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Other Names Acetamide, N-[4-[[[(1R,5S)-3-[(4-fluorophenyl)methyl]-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]amino]sulfonyl]phenyl]-;
NAT11-295077

In Other Databases

PubChem 11867244
ChemSpider 10041577