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1-(4-Chlorophenylmethyl)-5-(4-chlorophenylsulfonylamino)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide monohydrate

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1-(4-Chlorophenylmethyl)-5-(4-chlorophenylsulfonylamino)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide monohydrate
SpectraBase Compound ID 5Acpkyvvo3W
InChI InChI=1S/C26H31Cl2N5O3S.H2O/c27-20-9-7-19(8-10-20)17-33-18-31-24(25(33)32-37(35,36)23-13-11-21(28)12-14-23)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 LKMXWDMXRJGNCL-UHFFFAOYSA-N
Mol Weight 582.547 g/mol
Molecular Formula C26H33Cl2N5O4S
Exact Mass 581.163031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqHjH53IkKx
Name 1-(4-Chlorophenylmethyl)-5-(4-chlorophenylsulfonylamino)-1H-imidazole-N-(3-cyclohexylaminopropyl)-4-carboxamide monohydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33Cl2N5O4S
InChI InChI=1S/C26H31Cl2N5O3S.H2O/c27-20-9-7-19(8-10-20)17-33-18-31-24(25(33)32-37(35,36)23-13-11-21(28)12-14-23)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 LKMXWDMXRJGNCL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200500150
Molecular Weight 582.547 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)c1[n](cnc1C(=O)NCCCNC1CCCCC1)Cc1ccc(cc1)Cl.O
SPLASH splash10-004r-1900000000-21e2800cf21e07472785
Source of Spectrum APC-338-545-6g
Synonyms 1-(4-Chlorobenzyl)-5-(4-chlorophenylsulfonamido)-N-(3-(cyclohexylamino)propyl)-1H-imidazole-4-carboxamide hydrate
Wiley ID 1768650