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5-(4-Chlorophenylsulfonylamino)-1-(4-fluorophenylmethyl)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide sesquihydrate

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5-(4-Chlorophenylsulfonylamino)-1-(4-fluorophenylmethyl)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide sesquihydrate
SpectraBase Compound ID GrrJkeZh7Qs
InChI InChI=1S/C26H31ClFN5O3S.H2O/c27-20-9-13-23(14-10-20)37(35,36)32-25-24(31-18-33(25)17-19-7-11-21(28)12-8-19)26(34)30-16-4-15-29-22-5-2-1-3-6-22;/h7-14,18,22,29,32H,1-6,15-17H2,(H,30,34);1H2
InChIKey XJYXYUIMJMZJAT-UHFFFAOYSA-N
Mol Weight 566.092 g/mol
Molecular Formula C26H33ClFN5O4S
Exact Mass 565.192582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 983WApgtT0
Name 5-(4-Chlorophenylsulfonylamino)-1-(4-fluorophenylmethyl)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide sesquihydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33ClFN5O4S
InChI InChI=1S/C26H31ClFN5O3S.H2O/c27-20-9-13-23(14-10-20)37(35,36)32-25-24(31-18-33(25)17-19-7-11-21(28)12-8-19)26(34)30-16-4-15-29-22-5-2-1-3-6-22;/h7-14,18,22,29,32H,1-6,15-17H2,(H,30,34);1H2
InChIKey XJYXYUIMJMZJAT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200500150
Molecular Weight 566.092 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)c1[n](cnc1C(=O)NCCCNC1CCCCC1)Cc1ccc(cc1)F.O
SPLASH splash10-0a4j-1900000000-b2615e209a67dc65e26a
Source of Spectrum APC-338-545-6f
Synonyms 5-(4-Chlorophenylsulfonamido)-N-(3-(cyclohexylamino)propyl)-1-(4-fluorobenzyl)-1H-imidazole-4-carboxamide hydrate
Wiley ID 1768649