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

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

ID: Reference9929

Other Names: Acetamide, N-[4-[(1R,5R)-1,3,4,5,6,8-hexahydro-8-oxo-3-(phenylsulfonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]phenyl]-;
NAT11-285762

Formula: C25H25N3O4S

Spectral Data

N-{4-[(1R,9R)-6-Oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]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 4340
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2020 8:38:38 AM
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Identificators

InChI InChI=1S/C25H25N3O4S/c1-17(29)26-21-9-7-19(8-10-21)23-11-12-24-20-13-18(15-28(24)25(23)30)14-27(16-20)33(31,32)22-5-3-2-4-6-22/h2-12,18,20H,13-16H2,1H3,(H,26,29)/t18-,20+/m0/s1
InChI Key NWQFKMATRVPGCX-AZUAARDMSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)S(=O)(=O)C5=CC=CC=C5)CN3C2=O
CAS
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Other Names Acetamide, N-[4-[(1R,5R)-1,3,4,5,6,8-hexahydro-8-oxo-3-(phenylsulfonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]phenyl]-;
NAT11-285762

In Other Databases

PubChem 11885280
ChemSpider 10059608