N-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(trifluoromethyl)benzenesulfonamide

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Systematic / IUPAC Name: N-[(1R,9S)-11-(1-Acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(trifluoromethyl)benzenesulfonamide

ID: Reference10091

Other Names: Benzenesulfonamide, N-[(1R,5S)-3-(1-acetyl-4-piperidinyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-3-(trifluoromethyl)-;
NAT11-295094

Formula: C25H29F3N4O4S

Spectral Data

N-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(trifluoromethyl)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 725
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/20/2020 9:28:39 AM
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Identificators

InChI InChI=1S/C25H29F3N4O4S/c1-16(33)30-9-7-20(8-10-30)31-13-17-11-18(15-31)23-6-5-22(24(34)32(23)14-17)29-37(35,36)21-4-2-3-19(12-21)25(26,27)28/h2-6,12,17-18,20,29H,7-11,13-15H2,1H3/t17-,18+/m0/s1
InChI Key JSASUNWQDHBLEV-ZWKOTPCHSA-N
Canonical SMILES CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F
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Other Names Benzenesulfonamide, N-[(1R,5S)-3-(1-acetyl-4-piperidinyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-3-(trifluoromethyl)-;
NAT11-295094

In Other Databases

ChemSpider 5459890
PubChem 7113963