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Acetamide, N-[3-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]cyclohexyl]-, trans-
SpectraBase Compound ID AhQ0ESh6f6m
InChI InChI=1S/C23H30N2O3S/c1-18-11-13-23(14-12-18)29(27,28)25(16-15-20-7-4-3-5-8-20)22-10-6-9-21(17-22)24-19(2)26/h3-5,7-8,11-14,21-22H,6,9-10,15-17H2,1-2H3,(H,24,26)/t21-,22-/m1/s1
InChIKey VKLRDUVFIDWDFO-FGZHOGPDSA-N
Mol Weight 414.56 g/mol
Molecular Formula C23H30N2O3S
Exact Mass 414.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34OSXbyL0vl
Name Acetamide, N-[3-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]cyclohexyl]-, trans-
CAS Registry Number 70924-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O3S
InChI InChI=1S/C23H30N2O3S/c1-18-11-13-23(14-12-18)29(27,28)25(16-15-20-7-4-3-5-8-20)22-10-6-9-21(17-22)24-19(2)26/h3-5,7-8,11-14,21-22H,6,9-10,15-17H2,1-2H3,(H,24,26)/t21-,22-/m1/s1
InChIKey VKLRDUVFIDWDFO-FGZHOGPDSA-N
Molecular Weight 414.564 g/mol
SMILES N(C(=O)C)[C@]1(C[C@](N(S(c2ccc(cc2)C)(=O)=O)CCc2ccccc2)(CCC1)[H])[H]
SPLASH splash10-0006-6920000000-ea379704188826012f2c
Source of Spectrum H-62-1063-0
Synonyms N-{(1R,3R)-3-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]cyclohexyl}acetamide trans-1-acetamido-3-(n-phenethyl-p-toluenesulfonamido)cyclohexane trans-1-acetamido-3-(n-phenethyl-p-toluolsulfonamido)cyclohexane
Wiley ID 1375416