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

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

ID: Reference10136

Other Names: Benzenesulfonamide, 2-cyano-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-302696

Formula: C26H24N4O5S

Spectral Data

2-Cyano-N-[(1R,9S)-6-oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzenesulfonamide 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 1819
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/11/2020 10:58:18 AM
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Identificators

InChI InChI=1S/C26H24N4O5S/c27-13-19-6-4-5-9-24(19)36(33,34)28-22-10-11-23-20-12-18(15-30(23)26(22)32)14-29(16-20)25(31)17-35-21-7-2-1-3-8-21/h1-11,18,20,28H,12,14-17H2/t18-,20+/m0/s1
InChI Key IRXHQZRXDNMEAE-AZUAARDMSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=CC=C4C#N)C(=O)COC5=CC=CC=C5
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Other Names Benzenesulfonamide, 2-cyano-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-302696

In Other Databases

PubChem 7051432
ChemSpider 5409790