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5-[[(E)-C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid
SpectraBase Compound ID 9CF2uXtwVhd
InChI InChI=1S/C21H17ClN2O5S/c1-13-2-9-17(10-3-13)30(28,29)24-20(14-4-6-15(22)7-5-14)23-16-8-11-19(25)18(12-16)21(26)27/h2-12,25H,1H3,(H,23,24)(H,26,27)
InChIKey XTUATXDCUJNOAC-UHFFFAOYSA-N
Mol Weight 444.89 g/mol
Molecular Formula C21H17ClN2O5S
Exact Mass 444.054671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YrmRRIGdfO
Name 5-[[(E)-C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid
Alternate Name(s) 5-[[(E)-C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylcarbonimidoyl]amino]-2-hydroxybenzoic acid 5-[[(E)-C-(4-chlorophenyl)-N-(p-tolylsulfonyl)carbonimidoyl]amino]-2-hydroxy-benzoic acid 5-[[(E)-C-(4-chlorophenyl)-N-tosyl-carbonimidoyl]amino]-2-hydroxy-benzoic acid 5-[[(Z)-(4-chlorophenyl)-(4-methylphenyl)sulfonyliminomethyl]amino]-2-hydroxybenzoic acid 5-[[(Z)-C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid 5-[[(Z)-C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylcarbonimidoyl]amino]-2-hydroxybenzoic acid 5-[[(Z)-C-(4-chlorophenyl)-N-(p-tolylsulfonyl)carbonimidoyl]amino]-2-hydroxy-benzoic acid 5-[[(Z)-C-(4-chlorophenyl)-N-tosyl-carbonimidoyl]amino]-2-hydroxy-benzoic acid 5-[[C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid 5-[[C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonylcarbonimidoyl]amino]-2-hydroxybenzoic acid 5-[[C-(4-chlorophenyl)-N-(p-tolylsulfonyl)carbonimidoyl]amino]-2-hydroxy-benzoic acid 5-[[C-(4-chlorophenyl)-N-tosyl-carbonimidoyl]amino]-2-hydroxy-benzoic acid
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Formula C21H17ClN2O5S
InChI InChI=1S/C21H17ClN2O5S/c1-13-2-9-17(10-3-13)30(28,29)24-20(14-4-6-15(22)7-5-14)23-16-8-11-19(25)18(12-16)21(26)27/h2-12,25H,1H3,(H,23,24)(H,26,27)
InChIKey XTUATXDCUJNOAC-UHFFFAOYSA-N
Molecular Weight 444.889 g/mol
SMILES N(\C(=N\S(c1ccc(cc1)C)(=O)=O)c1ccc(cc1)Cl)c1ccc(c(c1)C(=O)O)O
SPLASH splash10-0006-9300000000-663bc97b9148f93354d6
Wiley ID 1464073