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
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.
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 |
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 | |
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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-(propylsulfonyl)-, methyl ester, (6S)-; NAT22-373567 |