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

enlarge

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

ID: Reference9414

Other Names: 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 3-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-5-(propylsulfonyl)-, methyl ester, (6S)-;
NAT22-373567

Formula: C18H22ClN3O4S

Spectral Data

Methyl (6S)-3-(4-chlorobenzyl)-5-(propylsulfonyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2493
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 2/28/2020 11:17:33 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H22ClN3O4S/c1-3-8-27(24,25)22-11-17-15(9-16(22)18(23)26-2)20-12-21(17)10-13-4-6-14(19)7-5-13/h4-7,12,16H,3,8-11H2,1-2H3/t16-/m0/s1
InChI Key OPODTICCJZAMCW-INIZCTEOSA-N
Canonical SMILES CCCS(=O)(=O)N1CC2=C(CC1C(=O)OC)N=CN2CC3=CC=C(C=C3)Cl
CAS
Splash
Other Names 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 3-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-5-(propylsulfonyl)-, methyl ester, (6S)-;
NAT22-373567

In Other Databases

PubChem 26745472
ChemSpider 21388405