N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}-1-phenylmethanesulfonamide

enlarge

Systematic / IUPAC Name: N-[[(1S,4S,6S)-3-Methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-1-phenylmethanesulfonamide

ID: Reference10416

Other Names: Benzenemethanesulfonamide, N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406795

Formula: C29H40N4O3S

Spectral Data

N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}-1-phenylmethanesulfonamide 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 1
No. of Spectra 1962
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2021 12:04:09 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H40N4O3S/c1-22(2)27-18-25(19-29(34)33-15-13-32(14-16-33)28-11-7-8-12-30-28)23(3)17-26(27)20-31-37(35,36)21-24-9-5-4-6-10-24/h4-12,17,22,25-27,31H,13-16,18-21H2,1-3H3/t25-,26-,27-/m0/s1
InChI Key YFIYYGYBHXOERW-QKDODKLFSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNS(=O)(=O)CC4=CC=CC=C4
CAS
Splash
Other Names Benzenemethanesulfonamide, N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406795

In Other Databases

ChemSpider 22937224
PubChem 38028891