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Pentanamide, N-[2-chloro-5-[(octylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID 365B93EcEYo
InChI InChI=1S/C33H41ClN2O8S2/c1-5-6-7-8-9-10-21-45(40,41)36-23-11-20-28(34)29(22-23)35-32(39)30(31(38)33(2,3)4)44-25-14-18-27(19-15-25)46(42,43)26-16-12-24(37)13-17-26/h11-20,22,30,36-37H,5-10,21H2,1-4H3,(H,35,39)
InChIKey LUWJNMQNYKFPOX-UHFFFAOYSA-N
Mol Weight 693.3 g/mol
Molecular Formula C33H41ClN2O8S2
Exact Mass 692.199286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63exS4NHk3u
Name Pentanamide, N-[2-chloro-5-[(octylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-
Alternate Name(s) N-(2-chloro-5-(octylsulfonamido)phenyl)-2-(4-((4-hydroxyphenyl)sulfonyl)phenoxy)-4,4-dimethyl-3-oxopentanamide N-{2-chloro-5-[(octylsulfonyl)amino]phenyl}-2-{4-[(4-hydroxyphenyl)sulfonyl]phenoxy}-4,4-dimethyl-3-oxopentanamide N-[2-chloro-5-(octylsulfonylamino)phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxopentanamide N-[2-chloro-5-(octylsulfonylamino)phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxo-pentanamide N-[2-chloranyl-5-(octylsulfonylamino)phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxidanylidene-pentanamide
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Formula C33H41ClN2O8S2
InChI InChI=1S/C33H41ClN2O8S2/c1-5-6-7-8-9-10-21-45(40,41)36-23-11-20-28(34)29(22-23)35-32(39)30(31(38)33(2,3)4)44-25-14-18-27(19-15-25)46(42,43)26-16-12-24(37)13-17-26/h11-20,22,30,36-37H,5-10,21H2,1-4H3,(H,35,39)
InChIKey LUWJNMQNYKFPOX-UHFFFAOYSA-N
Molecular Weight 693.270 g/mol
SMILES N(S(CCCCCCCC)(=O)=O)c1ccc(c(c1)NC(C(Oc1ccc(S(c2ccc(cc2)O)(=O)=O)cc1)C(=O)C(C)(C)C)=O)Cl
SPLASH splash10-0296-9722000000-5faeba779c74fe18fa88
Source of Spectrum JX-2015-4-1444
Wiley ID 1726828