GSK 163929B

enlarge

Systematic / IUPAC Name: 4-Chloro-2-fluoro-5-{[4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl]carbonyl}-N-methylbenzenesulfonamide

ID: Reference2953

Other Names: Benzenesulfonamide, 4-chloro-2-fluoro-5-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-N-methyl-

Formula: C36H40ClF2N5O3S

Spectral Data

GSK 163929B 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 Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 391
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 7/29/2015 8:56:56 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C36H40ClF2N5O3S/c1-23-41-32-8-3-4-9-33(32)44(23)28-19-26-10-11-27(20-28)43(26)17-14-36(24-6-5-7-25(38)18-24)12-15-42(16-13-36)35(45)29-21-34(48(46,47)40-2)31(39)22-30(29)37/h3-9,18,21-22,26-28,40H,10-17,19-20H2,1-2H3
InChI Key AWXQYTLSBPWDMJ-UHFFFAOYSA-N
Canonical SMILES CC1=NC2=CC=CC=C2N1C3CC4CCC(C3)N4CCC5(CCN(CC5)C(=O)C6=CC(=C(C=C6Cl)F)S(=O)(=O)NC)C7=CC(=CC=C7)F
CAS
Splash
Other Names Benzenesulfonamide, 4-chloro-2-fluoro-5-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-N-methyl-

In Other Databases

ChEMBL CHEMBL1784521
PubChem 53257735
ChemSpider 26341054