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Inherent Properties, Identifiers and References
ChemSpider ID: 21106207
Empirical Formula: C25H23F3N2O6S
Molecular Weight: 536.5201
Nominal Mass: 536 Da
Average Mass: 536.5201 Da
Monoisotopic Mass: 536.122891 Da
Systematic Name: 2,6-dihydroxy-N-methyl-N-[2-oxo-2-(p-tolylsulfonylmethylamino)-1-​[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILES: O=C(c1c(O)cccc1O)N(C)C(c2ccc(cc2)C(F)(F)F)C(=O)NCS(=O)(=O)c3ccc(C​)cc3 Copy
InChI: InChI=1/C25H23F3N2O6S/c1-15-6-12-18(13-7-15)37(35,36)14-29-23(33)​22(16-8-10-17(11-9-16)25(26,27)28)30(2)24(34)21-19(31)4-3-5-20(21​)32/h3-13,22,31-32H,14H2,1-2H3,(H,29,33) Copy
InChIKey: DNMWIOCLJUSMJQ-UHFFFAOYAW
Std. InChI: InChI=1S/C25H23F3N2O6S/c1-15-6-12-18(13-7-15)37(35,36)14-29-23(33​)22(16-8-10-17(11-9-16)25(26,27)28)30(2)24(34)21-19(31)4-3-5-20(2​1)32/h3-13,22,31-32H,14H2,1-2H3,(H,29,33) Copy
Std. InChIKey: DNMWIOCLJUSMJQ-UHFFFAOYSA-N
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