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5-(4-Chlorophenylsulfonylamino)-1-(2,6-dichlorophenylmethyl)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide sesquihydrate

View entire compound with spectra: 1 MS (GC)

5-(4-Chlorophenylsulfonylamino)-1-(2,6-dichlorophenylmethyl)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide sesquihydrate
SpectraBase Compound ID AsJFEW77ATv
InChI InChI=1S/C26H30Cl3N5O3S.H2O/c27-18-10-12-20(13-11-18)38(36,37)33-25-24(26(35)31-15-5-14-30-19-6-2-1-3-7-19)32-17-34(25)16-21-22(28)8-4-9-23(21)29;/h4,8-13,17,19,30,33H,1-3,5-7,14-16H2,(H,31,35);1H2
InChIKey MWXSVJYZNPCVBM-UHFFFAOYSA-N
Mol Weight 616.992 g/mol
Molecular Formula C26H32Cl3N5O4S
Exact Mass 615.124059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lMrfHzKfy2
Name 5-(4-Chlorophenylsulfonylamino)-1-(2,6-dichlorophenylmethyl)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide sesquihydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32Cl3N5O4S
InChI InChI=1S/C26H30Cl3N5O3S.H2O/c27-18-10-12-20(13-11-18)38(36,37)33-25-24(26(35)31-15-5-14-30-19-6-2-1-3-7-19)32-17-34(25)16-21-22(28)8-4-9-23(21)29;/h4,8-13,17,19,30,33H,1-3,5-7,14-16H2,(H,31,35);1H2
InChIKey MWXSVJYZNPCVBM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200500150
Molecular Weight 616.992 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)c1[n](cnc1C(=O)NCCCNC1CCCCC1)Cc1c(cccc1Cl)Cl.O
SPLASH splash10-000i-1910000000-324d70691db1277e3cac
Source of Spectrum APC-338-545-6j
Synonyms 5-(4-Chlorophenylsulfonamido)-N-(3-(cyclohexylamino)propyl)-1-(2,6-dichlorobenzyl)-1H-imidazole-4-carboxamide hydrate
Wiley ID 1768653