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CHEBI:103937 - 2,5-dimethylbenzenesulfonic acid [4-[[3-(2-aminoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-methoxyphenyl] ester

ChEBI IDCHEBI:103937
ChEBI Name2,5-dimethylbenzenesulfonic acid [4-[[3-(2-aminoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-methoxyphenyl] ester
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DownloadsMolfile
FormulaC21H22N2O6S2
Net Charge0
Average Mass462.549
Monoisotopic Mass462.09193
SMILESCOc1cc(C=C2SC(=O)N(CCN)C2=O)ccc1OS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C21H22N2O6S2/c1-13-4-5-14(2)19(10-13)31(26,27)29-16-7-6-15(11-17(16)28-3)12-18-20(24)23(9-8-22)21(25)30-18/h4-7,10-12H,8-9,22H2,1-3H3
InChIKeyXTFLFSBYKYFWNZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,5-dimethylbenzenesulfonic acid [4-[[3-(2-aminoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-methoxyphenyl] ester (CHEBI:103937) is a benzenesulfonate ester (CHEBI:83352)
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LSM-15290LINCS