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Methanone, [3-amino-5-[(2,6-dimethylphenyl)amino]-4-[(4-methylphenyl)sulfonyl]-2-thienyl](4-fluorophenyl)-
SpectraBase Compound ID CRgA5RlYrwr
InChI InChI=1S/C26H23FN2O3S2/c1-15-7-13-20(14-8-15)34(31,32)25-21(28)24(23(30)18-9-11-19(27)12-10-18)33-26(25)29-22-16(2)5-4-6-17(22)3/h4-14,29H,28H2,1-3H3
InChIKey XTQSSQDNZVPVKM-UHFFFAOYSA-N
Mol Weight 494.6 g/mol
Molecular Formula C26H23FN2O3S2
Exact Mass 494.113413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgaotEY2afW
Name Methanone, [3-amino-5-[(2,6-dimethylphenyl)amino]-4-[(4-methylphenyl)sulfonyl]-2-thienyl](4-fluorophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23FN2O3S2
InChI InChI=1S/C26H23FN2O3S2/c1-15-7-13-20(14-8-15)34(31,32)25-21(28)24(23(30)18-9-11-19(27)12-10-18)33-26(25)29-22-16(2)5-4-6-17(22)3/h4-14,29H,28H2,1-3H3
InChIKey XTQSSQDNZVPVKM-UHFFFAOYSA-N
Molecular Weight 494.599 g/mol
SMILES N(c1sc(c(c1S(c1ccc(cc1)C)(=O)=O)N)C(c1ccc(cc1)F)=O)c1c(cccc1C)C
SPLASH splash10-006x-7900000000-d9d50c00f4382ae7351f
Source of Spectrum IY-1-4557-5
Synonyms [3-amino-5-(2,6-dimethylanilino)-4-(4-methylphenyl)sulfonyl-2-thiophenyl]-(4-fluorophenyl)methanone [3-amino-5-(2,6-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone [3-amino-5-(2,6-dimethylanilino)-4-(p-tolylsulfonyl)-2-thienyl]-(4-fluorophenyl)methanone [3-azanyl-5-[(2,6-dimethylphenyl)amino]-4-(4-methylphenyl)sulfonyl-thiophen-2-yl]-(4-fluorophenyl)methanone
Wiley ID 1653558