N-({(1S,4S,6S)-4-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)-4-fluorobenzenesulfonamide

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Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-4-fluorobenzenesulfonamide

ID: Reference10419

Other Names: Benzenesulfonamide, N-[[(1S,4S,6S)-4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-4-fluoro-;
NAT28-402032

Formula: C25H36FN3O4S

Spectral Data

N-({(1S,4S,6S)-4-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)-4-fluorobenzenesulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1877
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2021 12:19:59 PM
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Identificators

InChI InChI=1S/C25H36FN3O4S/c1-17(2)24-14-20(15-25(31)29-11-9-28(10-12-29)19(4)30)18(3)13-21(24)16-27-34(32,33)23-7-5-22(26)6-8-23/h5-8,13,17,20-21,24,27H,9-12,14-16H2,1-4H3/t20-,21-,24-/m0/s1
InChI Key BOIIEDRCPQYGCX-HFMPRLQTSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C(=O)C)C(C)C)CNS(=O)(=O)C3=CC=C(C=C3)F
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Other Names Benzenesulfonamide, N-[[(1S,4S,6S)-4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-4-fluoro-;
NAT28-402032

In Other Databases

PubChem 38026852
ChemSpider 22936942