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N-[3-(Cyclohexylamino)propyl]-2-[[(4-fluorophenyl)sulfonyl]amino]-1,3-thiazol-4-yl-acetamide semihydrate
SpectraBase Compound ID d0Fi3IL5M
InChI InChI=1S/C20H27FN4O3S2.H2O/c21-15-7-9-18(10-8-15)30(27,28)25-20-24-17(14-29-20)13-19(26)23-12-4-11-22-16-5-2-1-3-6-16;/h7-10,14,16,22H,1-6,11-13H2,(H,23,26)(H,24,25);1H2
InChIKey SFEPOHWLSMPUPX-UHFFFAOYSA-N
Mol Weight 472.59 g/mol
Molecular Formula C20H29FN4O4S2
Exact Mass 472.161426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmYOSS1zaqK
Name N-[3-(Cyclohexylamino)propyl]-2-[[(4-fluorophenyl)sulfonyl]amino]-1,3-thiazol-4-yl-acetamide semihydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29FN4O4S2
InChI InChI=1S/C20H27FN4O3S2.H2O/c21-15-7-9-18(10-8-15)30(27,28)25-20-24-17(14-29-20)13-19(26)23-12-4-11-22-16-5-2-1-3-6-16;/h7-10,14,16,22H,1-6,11-13H2,(H,23,26)(H,24,25);1H2
InChIKey SFEPOHWLSMPUPX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700046
Molecular Weight 472.594 g/mol
SMILES O.N(S(c1ccc(cc1)F)(=O)=O)c1nc(CC(=O)NCCCNC2CCCCC2)cs1
SPLASH splash10-06r2-6900300000-5e51b518bc5264da1f90
Source of Spectrum APC-341-650-3a
Synonyms N-(3-(cyclohexylamino)propyl)-2-(2-(4-fluorophenylsulfonamido)thiazol-4-yl)acetamide hydrate
Wiley ID 1768893