[3-[[4-cyano-3-(trifluoromethyl)phenyl]amino]-2-methyl-2-oxidanyl-3-oxidanylidene-propyl] methanesulfonate

Systemtic Name: [3-[[4-cyano-3-(trifluoromethyl)phenyl]amino]-2-methyl-2-oxidanyl-3-oxidanylidene-propyl] methanesulfonate Openeye Name: [3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl] ester IUPAC Name: [3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-3-keto-2-methyl-propyl] ester Formula: C13H13F3N2O5S MolecularWeight: 366.31293

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)C)(C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F)O

Isomeric SMILES

CC(COS(=O)(=O)C)(C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F)O

InChI

InChI=1S/C13H13F3N2O5S/c1-12(20,7-23-24(2,21)22)11(19)18-9-4-3-8(6-17)10(5-9)13(14,15)16/h3-5,20H,7H2,1-2H3,(H,18,19)