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trans-4-(Piperidiny)carboxamide-5-(p-chlorophenyl)-1-N-tosyl-2-imidazoline
SpectraBase Compound ID AGiZKc0Y3CO
InChI InChI=1S/C22H24ClN3O3S/c1-16-5-11-19(12-6-16)30(28,29)26-15-24-20(22(27)25-13-3-2-4-14-25)21(26)17-7-9-18(23)10-8-17/h5-12,15,20-21H,2-4,13-14H2,1H3/t20-,21+/m1/s1
InChIKey PPIFXDLNPAULNP-RTWAWAEBSA-N
Mol Weight 445.97 g/mol
Molecular Formula C22H24ClN3O3S
Exact Mass 445.122691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHZ68wUHRjd
Name trans-4-(Piperidiny)carboxamide-5-(p-chlorophenyl)-1-N-tosyl-2-imidazoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClN3O3S
InChI InChI=1S/C22H24ClN3O3S/c1-16-5-11-19(12-6-16)30(28,29)26-15-24-20(22(27)25-13-3-2-4-14-25)21(26)17-7-9-18(23)10-8-17/h5-12,15,20-21H,2-4,13-14H2,1H3/t20-,21+/m1/s1
InChIKey PPIFXDLNPAULNP-RTWAWAEBSA-N
Molecular Weight 445.965 g/mol
SMILES c1(S(N2[C@]([C@](C(N3CCCCC3)=O)(N=C2)[H])(c2ccc(cc2)Cl)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-03dl-2910000000-6d7f4114b4bdac520f90
Source of Spectrum F-54-12453-4
Synonyms 1-({(4R,5S)-5-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-imidazol-4-yl}carbonyl)piperidine [(4R,5S)-5-(4-Chloro-phenyl)-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazol-4-yl]-piperidin-1-yl-methanone
Wiley ID 809184