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

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Systematic / IUPAC Name: N-[(1R,9S)-6-Oxo-11-(4-phenylbenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]thiophene-2-sulfonamide

ID: Reference10130

Other Names: 2-Thiophenesulfonamide, N-[(1R,5S)-3-([1,1'-biphenyl]-4-ylcarbonyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-291875

Formula: C28H25N3O4S2

Spectral Data

N-[(1R,9S)-11-(4-Biphenylylcarbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenesulfonamide 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 2
No. of Spectra 2880
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/4/2020 11:03:13 AM
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Identificators

InChI InChI=1S/C28H25N3O4S2/c32-27(22-10-8-21(9-11-22)20-5-2-1-3-6-20)30-16-19-15-23(18-30)25-13-12-24(28(33)31(25)17-19)29-37(34,35)26-7-4-14-36-26/h1-14,19,23,29H,15-18H2/t19-,23+/m0/s1
InChI Key YFZAZNUUTDEZJN-WMZHIEFXSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=CS4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6
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Other Names 2-Thiophenesulfonamide, N-[(1R,5S)-3-([1,1'-biphenyl]-4-ylcarbonyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-291875

In Other Databases

ChemSpider 5459881
PubChem 7113944