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Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[[(2-hydroxyethyl)amino]sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID 4lRgkarjgWk
InChI InChI=1S/C37H58ClN3O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-50(45,46)41-29-19-24-32(38)33(28-29)40-36(44)34(35(43)37(2,3)4)49-30-20-22-31(23-21-30)51(47,48)39-25-26-42/h19-24,28,34,39,41-42H,5-18,25-27H2,1-4H3,(H,40,44)
InChIKey UYGYQCFSJISEFV-UHFFFAOYSA-N
Mol Weight 772.5 g/mol
Molecular Formula C37H58ClN3O8S2
Exact Mass 771.335386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ho5zjYB0Elf
Name Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[[(2-hydroxyethyl)amino]sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H58ClN3O8S2
InChI InChI=1S/C37H58ClN3O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-50(45,46)41-29-19-24-32(38)33(28-29)40-36(44)34(35(43)37(2,3)4)49-30-20-22-31(23-21-30)51(47,48)39-25-26-42/h19-24,28,34,39,41-42H,5-18,25-27H2,1-4H3,(H,40,44)
InChIKey UYGYQCFSJISEFV-UHFFFAOYSA-N
Molecular Weight 772.457 g/mol
SMILES N(S(CCCCCCCCCCCCCCCC)(=O)=O)c1ccc(c(c1)NC(C(Oc1ccc(S(=O)(=O)NCCO)cc1)C(=O)C(C)(C)C)=O)Cl
SPLASH splash10-0006-9800500000-9f66fdc9290e972fcc14
Source of Spectrum JX-2015-4-1495
Synonyms N-(2-chloro-5-(hexadecylsulfonamido)phenyl)-2-(4-(N-(2-hydroxyethyl)sulfamoyl)phenoxy)-4,4-dimethyl-3-oxopentanamide N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-2-{4-[(2-hydroxyethyl)sulfamoyl]phenoxy}-4,4-dimethyl-3-oxopentanamide N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-2-[4-(2-hydroxyethylsulfamoyl)phenoxy]-4,4-dimethyl-3-oxopentanamide N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-2-[4-(2-hydroxyethylsulfamoyl)phenoxy]-4,4-dimethyl-3-oxo-pentanamide N-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-2-[4-(2-hydroxyethylsulfamoyl)phenoxy]-4,4-dimethyl-3-oxidanylidene-pentanamide
Wiley ID 1726878