Methyl (6S)-3-(4-methoxybenzyl)-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-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

ID: Reference9452

Other Names: 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-3-[(4-methoxyphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]sulfonyl]-, methyl ester, (6S)-;
NAT22-373171

Formula: C23H22F3N3O5S

Spectral Data

Methyl (6S)-3-(4-methoxybenzyl)-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 1800
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2020 11:52:30 AM
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Identificators

InChI InChI=1S/C23H22F3N3O5S/c1-33-17-8-6-15(7-9-17)12-28-14-27-19-11-20(22(30)34-2)29(13-21(19)28)35(31,32)18-5-3-4-16(10-18)23(24,25)26/h3-10,14,20H,11-13H2,1-2H3/t20-/m0/s1
InChI Key OOSQMGDXFUTCBS-FQEVSTJZSA-N
Canonical SMILES COC1=CC=C(C=C1)CN2C=NC3=C2CN(C(C3)C(=O)OC)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F
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Other Names 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-3-[(4-methoxyphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]sulfonyl]-, methyl ester, (6S)-;
NAT22-373171

In Other Databases

PubChem 25338976
ChemSpider 21388381