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

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

ID: Reference10089

Other Names: Benzenesulfonamide, 4-chloro-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-(3-methoxy-1-oxopropyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-275106

Formula: C21H24ClN3O5S

Spectral Data

4-Chloro-N-[(1R,9S)-11-(3-methoxypropanoyl)-6-oxo-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 2
No. of Spectra 3455
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/20/2020 9:25:41 AM
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Identificators

InChI InChI=1S/C21H24ClN3O5S/c1-30-9-8-20(26)24-11-14-10-15(13-24)19-7-6-18(21(27)25(19)12-14)23-31(28,29)17-4-2-16(22)3-5-17/h2-7,14-15,23H,8-13H2,1H3/t14-,15+/m0/s1
InChI Key KEOIRPZIVJIWCC-LSDHHAIUSA-N
Canonical SMILES COCCC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=C(C=C4)Cl
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Other Names Benzenesulfonamide, 4-chloro-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-(3-methoxy-1-oxopropyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-275106

In Other Databases

ChemSpider 5409750
PubChem 7051289