N-{(6aS,8S)-6,12-Dioxo-2-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl}methanesulfonamide

enlarge

Systematic / IUPAC Name: N-[(6aS,8S)-6,12-Dioxo-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonamide

ID: Reference9616

Other Names: Methanesulfonamide, N-[(6aS,8S)-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,1-c][1,4]benzodiazepin-8-yl]-;
NAT7-329982

Formula: C21H20F3N3O4S

Spectral Data

N-{(6aS,8S)-6,12-Dioxo-2-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl}methanesulfonamide 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 3414
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 6:32:25 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H20F3N3O4S/c1-32(30,31)26-15-7-8-27-18(11-15)19(28)25-17-6-5-13(10-16(17)20(27)29)12-3-2-4-14(9-12)21(22,23)24/h2-6,9-10,15,18,26H,7-8,11H2,1H3,(H,25,28)/t15-,18-/m0/s1
InChI Key MOPVDFWHAORUHU-YJBOKZPZSA-N
Canonical SMILES CS(=O)(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
CAS
Splash
Other Names Methanesulfonamide, N-[(6aS,8S)-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,1-c][1,4]benzodiazepin-8-yl]-;
NAT7-329982

In Other Databases

PubChem 25390940
ChemSpider 21388673