N-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-cyanobenzenesulfonamide

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

ID: Reference10118

Other Names: Benzenesulfonamide, N-[(1R,5S)-3-benzoyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-2-cyano-;
NAT11-302646

Formula: C25H22N4O4S

Spectral Data

N-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-cyanobenzenesulfonamide 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 2
No. of Spectra 3264
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/4/2020 10:50:17 AM
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Identificators

InChI InChI=1S/C25H22N4O4S/c26-13-19-8-4-5-9-23(19)34(32,33)27-21-10-11-22-20-12-17(15-29(22)25(21)31)14-28(16-20)24(30)18-6-2-1-3-7-18/h1-11,17,20,27H,12,14-16H2/t17-,20+/m0/s1
InChI Key QZAYITMDEMNPMO-FXAWDEMLSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=CC=C4C#N)C(=O)C5=CC=CC=C5
CAS
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Other Names Benzenesulfonamide, N-[(1R,5S)-3-benzoyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-2-cyano-;
NAT11-302646

In Other Databases

ChemSpider 5409788
PubChem 7051430