2-[(1S,4S,5S)-4-(Benzenesulfonamidomethyl)-5-isopropyl-2-methyl-cyclohex-2-en-1-yl]-N-(2-pyridyl)acetamide

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Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Benzenesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-pyridin-2-ylacetamide

ID: Reference9509

Other Names: NAT28-408744

Formula: C24H31N3O3S

Spectral Data

2-[(1S,4S,5S)-4-(Benzenesulfonamidomethyl)-5-isopropyl-2-methyl-cyclohex-2-en-1-yl]-N-(2-pyridyl)acetamide 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 2
No. of Spectra 3612
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/19/2020 6:37:27 AM
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Identificators

InChI InChI=1S/C24H31N3O3S/c1-17(2)22-14-19(15-24(28)27-23-11-7-8-12-25-23)18(3)13-20(22)16-26-31(29,30)21-9-5-4-6-10-21/h4-13,17,19-20,22,26H,14-16H2,1-3H3,(H,25,27,28)/t19-,20-,22-/m0/s1
InChI Key BUJXJQRWUOVWQM-ONTIZHBOSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NC2=CC=CC=N2)C(C)C)CNS(=O)(=O)C3=CC=CC=C3
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Other Names NAT28-408744

In Other Databases

PubChem 38029438
ChemSpider 22937297