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N-[5-(Cyclohexylamino)pentyl]-2-[[(4-chlorophenyl)sulfonyl]amino]-1,3-thiazol-4-yl-acetamide hydrochloride hydrate
SpectraBase Compound ID Lg0PQramzje
InChI InChI=1S/C22H31ClN4O3S2.ClH.H2O/c23-17-9-11-20(12-10-17)32(29,30)27-22-26-19(16-31-22)15-21(28)25-14-6-2-5-13-24-18-7-3-1-4-8-18;;/h9-12,16,18,24H,1-8,13-15H2,(H,25,28)(H,26,27);1H;1H2
InChIKey DYCLFDKBDPFVHW-UHFFFAOYSA-N
Mol Weight 553.56 g/mol
Molecular Formula C22H34Cl2N4O4S2
Exact Mass 552.139853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WptcjBzZik
Name N-[5-(Cyclohexylamino)pentyl]-2-[[(4-chlorophenyl)sulfonyl]amino]-1,3-thiazol-4-yl-acetamide hydrochloride hydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34Cl2N4O4S2
InChI InChI=1S/C22H31ClN4O3S2.ClH.H2O/c23-17-9-11-20(12-10-17)32(29,30)27-22-26-19(16-31-22)15-21(28)25-14-6-2-5-13-24-18-7-3-1-4-8-18;;/h9-12,16,18,24H,1-8,13-15H2,(H,25,28)(H,26,27);1H;1H2
InChIKey DYCLFDKBDPFVHW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700046
Molecular Weight 553.564 g/mol
SMILES Cl.O.N(CCCCCNC(Cc1csc(n1)NS(=O)(c1ccc(cc1)Cl)=O)=O)C1CCCCC1
SPLASH splash10-08n9-8924300000-e50f35775c18fb94387f
Source of Spectrum APC-341-650-3b
Synonyms 2-(2-(4-chlorophenylsulfonamido)thiazol-4-yl)-N-(5-(cyclohexylamino)pentyl)acetamide hydrochloride hydrate
Wiley ID 1768894