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trans-4-(Piperidiny)carboxamide-5-(p-methylphenyl)-1-N-benzenesulfonyl-2-imidazoline
SpectraBase Compound ID 27R8klNY4Sg
InChI InChI=1S/C22H25N3O3S/c1-17-10-12-18(13-11-17)21-20(22(26)24-14-6-3-7-15-24)23-16-25(21)29(27,28)19-8-4-2-5-9-19/h2,4-5,8-13,16,20-21H,3,6-7,14-15H2,1H3/t20-,21+/m1/s1
InChIKey MDYRQXAUZABQOV-RTWAWAEBSA-N
Mol Weight 411.52 g/mol
Molecular Formula C22H25N3O3S
Exact Mass 411.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7D5Cyp7lsuW
Name trans-4-(Piperidiny)carboxamide-5-(p-methylphenyl)-1-N-benzenesulfonyl-2-imidazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O3S
InChI InChI=1S/C22H25N3O3S/c1-17-10-12-18(13-11-17)21-20(22(26)24-14-6-3-7-15-24)23-16-25(21)29(27,28)19-8-4-2-5-9-19/h2,4-5,8-13,16,20-21H,3,6-7,14-15H2,1H3/t20-,21+/m1/s1
InChIKey MDYRQXAUZABQOV-RTWAWAEBSA-N
Molecular Weight 411.520 g/mol
SMILES c1(S(N2[C@]([C@](C(N3CCCCC3)=O)(N=C2)[H])(c2ccc(cc2)C)[H])(=O)=O)ccccc1
SPLASH splash10-03di-1930100000-e95ddcf6c317b155a7c3
Source of Spectrum F-54-12453-4
Synonyms ((4R,5S)-1-Benzenesulfonyl-5-p-tolyl-4,5-dihydro-1H-imidazol-4-yl)-piperidin-1-yl-methanone 1-{[(4R,5S)-5-(4-methylphenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazol-4-yl]carbonyl}piperidine
Wiley ID 809183