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

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

ID: Reference9239

Other Names: Acetamide, N-[4-[[(1R,5R)-9-benzo[b]thien-2-yl-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl]phenyl]-;
NAT11-284207

Formula: C27H25N3O4S2

Spectral Data

N-(4-{[(1R,9R)-5-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl}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 1079
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2019 10:18:59 AM
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Identificators

InChI InChI=1S/C27H25N3O4S2/c1-17(31)28-21-6-8-22(9-7-21)36(33,34)29-14-18-12-20(16-29)24-11-10-23(27(32)30(24)15-18)26-13-19-4-2-3-5-25(19)35-26/h2-11,13,18,20H,12,14-16H2,1H3,(H,28,31)/t18-,20+/m0/s1
InChI Key RDUQSTQAJMXRKQ-AZUAARDMSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC6=CC=CC=C6S5
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Other Names Acetamide, N-[4-[[(1R,5R)-9-benzo[b]thien-2-yl-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl]phenyl]-;
NAT11-284207

In Other Databases

ChemSpider 5986167
PubChem 7672478