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Methyl 2-[N-(Phenylsulfonyl)-N-(propargyl)amino]-3-(1H-3-indolyl)propionate
SpectraBase Compound ID C2VI6aJkbaz
InChI InChI=1S/C21H20N2O4S/c1-3-13-23(28(25,26)17-9-5-4-6-10-17)20(21(24)27-2)14-16-15-22-19-12-8-7-11-18(16)19/h1,4-12,15,20,22H,13-14H2,2H3
InChIKey KIFQSNNAKCWGHA-UHFFFAOYSA-N
Mol Weight 396.46 g/mol
Molecular Formula C21H20N2O4S
Exact Mass 396.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Br9lW1792bT
Name Methyl 2-[N-(Phenylsulfonyl)-N-(propargyl)amino]-3-(1H-3-indolyl)propionate
Alternate Name(s) Methyl 3-(1H-indol-3-yl)-2-[(phenylsulfonyl)(2-propynyl)amino]propanoate 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester Methyl 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-(1H-indol-3-yl)propanoate Methyl 3-(1H-indol-3-yl)-2-[phenylsulfonyl(prop-2-ynyl)amino]propanoate
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Formula C21H20N2O4S
InChI InChI=1S/C21H20N2O4S/c1-3-13-23(28(25,26)17-9-5-4-6-10-17)20(21(24)27-2)14-16-15-22-19-12-8-7-11-18(16)19/h1,4-12,15,20,22H,13-14H2,2H3
InChIKey KIFQSNNAKCWGHA-UHFFFAOYSA-N
Molecular Weight 396.461 g/mol
SMILES [nH]1c2ccccc2c(c1)CC(C(=O)OC)N(CC#C)S(=O)(=O)c1ccccc1
SPLASH splash10-001i-0900000000-beca568074cc05a8c59b
Source of Spectrum F-57-612-2
Wiley ID 1549325