Ethyl [(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(phenylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetate

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Systematic / IUPAC Name: Ethyl 2-[(1S,4S,5S)-4-(benzenesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetate

ID: Reference10356

Other Names: Ethyl [(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(phenylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetate;
NAT28-409089

Formula: C21H31NO4S

Spectral Data

Ethyl [(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(phenylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetate 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 3319
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2021 12:59:14 PM
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Identificators

InChI InChI=1S/C21H31NO4S/c1-5-26-21(23)13-17-12-20(15(2)3)18(11-16(17)4)14-22-27(24,25)19-9-7-6-8-10-19/h6-11,15,17-18,20,22H,5,12-14H2,1-4H3/t17-,18-,20-/m0/s1
InChI Key ABLDZBMNYXWCST-BJLQDIEVSA-N
Canonical SMILES CCOC(=O)CC1CC(C(C=C1C)CNS(=O)(=O)C2=CC=CC=C2)C(C)C
CAS
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Other Names Ethyl [(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(phenylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetate;
NAT28-409089

In Other Databases

PubChem 38029736
ChemSpider 22937338