Methyl (6S)-3-(4-chlorobenzyl)-5-{[3-(trifluoromethyl)phenyl]sulfonyl}-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

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Systematic / IUPAC Name: Methyl (6S)-3-[(4-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

ID: Reference9412

Other Names: 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 3-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-5-[[3-(trifluoromethyl)phenyl]sulfonyl]-, methyl ester, (6S)-;
NAT22-373571

Formula: C22H19ClF3N3O4S

Spectral Data

Methyl (6S)-3-(4-chlorobenzyl)-5-{[3-(trifluoromethyl)phenyl]sulfonyl}-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate 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 1842
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/28/2020 11:14:57 AM
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Identificators

InChI InChI=1S/C22H19ClF3N3O4S/c1-33-21(30)19-10-18-20(28(13-27-18)11-14-5-7-16(23)8-6-14)12-29(19)34(31,32)17-4-2-3-15(9-17)22(24,25)26/h2-9,13,19H,10-12H2,1H3/t19-/m0/s1
InChI Key SGAQPDHPSHYFEM-IBGZPJMESA-N
Canonical SMILES COC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)N(C=N2)CC4=CC=C(C=C4)Cl
CAS
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Other Names 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 3-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-5-[[3-(trifluoromethyl)phenyl]sulfonyl]-, methyl ester, (6S)-;
NAT22-373571

In Other Databases

PubChem 26745475
ChemSpider 21388408