(1R,9R)-N-(4-Fluorophenyl)-6-oxo-3-[(propylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

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Systematic / IUPAC Name: (1R,9R)-N-(4-Fluorophenyl)-6-oxo-3-(propylsulfonylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

ID: Reference8869

Other Names: 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N-(4-fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-11-[(propylsulfonyl)amino]-, (1R,5R)-;
NAT11-326089

Formula: C21H25FN4O4S

Spectral Data

(1R,9R)-N-(4-Fluorophenyl)-6-oxo-3-[(propylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 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 3359
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2019 7:22:50 AM
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Identificators

InChI InChI=1S/C21H25FN4O4S/c1-2-9-31(29,30)24-18-7-8-19(27)26-12-14-10-15(20(18)26)13-25(11-14)21(28)23-17-5-3-16(22)4-6-17/h3-8,14-15,24H,2,9-13H2,1H3,(H,23,28)/t14-,15+/m0/s1
InChI Key IATSLGHKHGYSOM-LSDHHAIUSA-N
Canonical SMILES CCCS(=O)(=O)NC1=C2C3CC(CN(C3)C(=O)NC4=CC=C(C=C4)F)CN2C(=O)C=C1
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Other Names 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N-(4-fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-11-[(propylsulfonyl)amino]-, (1R,5R)-;
NAT11-326089

In Other Databases

PubChem 9391268
ChemSpider 7677624