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

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Systematic / IUPAC Name: 4-Methoxy-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]benzenesulfonamide

ID: Reference11826

Other Names: NAT28-406794

Formula: C29H40N4O4S

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}-4-methoxybenzenesulfonamide 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 2493
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/7/2022 8:36:46 PM
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Identificators

InChI InChI=1S/C29H40N4O4S/c1-21(2)27-18-23(19-29(34)33-15-13-32(14-16-33)28-7-5-6-12-30-28)22(3)17-24(27)20-31-38(35,36)26-10-8-25(37-4)9-11-26/h5-12,17,21,23-24,27,31H,13-16,18-20H2,1-4H3/t23-,24-,27-/m0/s1
InChI Key ZFYUWMAEJBFZQW-DPZBCOQUSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNS(=O)(=O)C4=CC=C(C=C4)OC
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Other Names NAT28-406794

In Other Databases

PubChem 45783894
ChemSpider 22937223