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Propanoic acid, 2-methyl-, 2-[[4-[2-cyano-3-[4-[(ethylsulfonyl)amino]phenyl]-3-oxo-1-propen-1-yl]phenyl]ethylamino]ethyl ester
SpectraBase Compound ID CajSqvRoFs9
InChI InChI=1S/C26H31N3O5S/c1-5-29(15-16-34-26(31)19(3)4)24-13-7-20(8-14-24)17-22(18-27)25(30)21-9-11-23(12-10-21)28-35(32,33)6-2/h7-14,17,19,28H,5-6,15-16H2,1-4H3/b22-17-
InChIKey JCKGKXQEWQGWMR-XLNRJJMWSA-N
Mol Weight 497.61 g/mol
Molecular Formula C26H31N3O5S
Exact Mass 497.198442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzxNItTBMGm
Name Propanoic acid, 2-methyl-, 2-[[4-[2-cyano-3-[4-[(ethylsulfonyl)amino]phenyl]-3-oxo-1-propen-1-yl]phenyl]ethylamino]ethyl ester
Alternate Name(s) 2-((4-(2-cyano-3-(4-(ethylsulfonamido)phenyl)-3-oxoprop-1-en-1-yl)phenyl)(ethyl)amino)ethyl isobutyrate 2-Methylpropanoic acid 2-[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxoprop-1-enyl]-N-ethylanilino]ethyl ester 2-[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxoprop-1-enyl]-N-ethylanilino]ethyl 2-methylpropanoate 2-[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxo-prop-1-enyl]-N-ethyl-anilino]ethyl 2-methylpropanoate 2-[[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxidanylidene-prop-1-enyl]phenyl]-ethyl-amino]ethyl 2-methylpropanoate
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Formula C26H31N3O5S
InChI InChI=1S/C26H31N3O5S/c1-5-29(15-16-34-26(31)19(3)4)24-13-7-20(8-14-24)17-22(18-27)25(30)21-9-11-23(12-10-21)28-35(32,33)6-2/h7-14,17,19,28H,5-6,15-16H2,1-4H3/b22-17-
InChIKey JCKGKXQEWQGWMR-XLNRJJMWSA-N
Molecular Weight 497.610 g/mol
SMILES N(c1ccc(C(\C(=C/c2ccc(N(CC)CCOC(=O)C(C)C)cc2)C#N)=O)cc1)S(=O)(=O)CC
SPLASH splash10-0002-9214100000-7471227c05d83ea23d27
Source of Spectrum JX-2015-4-929
Wiley ID 1726340