Methyl (6S)-5-(benzylsulfonyl)-3-(4-chlorobenzyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

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

ID: Reference9415

Other Names: 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 3-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-5-[(phenylmethyl)sulfonyl]-, methyl ester, (6S)-;
NAT22-373566

Formula: C22H22ClN3O4S

Spectral Data

Methyl (6S)-5-(benzylsulfonyl)-3-(4-chlorobenzyl)-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 1
No. of Spectra 80
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/28/2020 11:18:48 AM
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Identificators

InChI InChI=1S/C22H22ClN3O4S/c1-30-22(27)20-11-19-21(25(15-24-19)12-16-7-9-18(23)10-8-16)13-26(20)31(28,29)14-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3/t20-/m0/s1
InChI Key YMJBYVFGNPYBLD-FQEVSTJZSA-N
Canonical SMILES COC(=O)C1CC2=C(CN1S(=O)(=O)CC3=CC=CC=C3)N(C=N2)CC4=CC=C(C=C4)Cl
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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-[(phenylmethyl)sulfonyl]-, methyl ester, (6S)-;
NAT22-373566

In Other Databases

ChemSpider 21388404
PubChem 26745471