[(3S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-3-yl] methanesulfonate

Systemtic Name: [(3S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-3-yl] methanesulfonate Openeye Name: [(1S)-1-ethyl-3-oxo-3-[4-(trifluoromethyl)anilino]propyl] methanesulfonate CAS Name: methanesulfonic acid [(3S)-1-oxo-1-[4-(trifluoromethyl)anilino]pentan-3-yl] ester IUPAC Name: [(3S)-1-oxo-1-[4-(trifluoromethyl)anilino]pentan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-1-ethyl-3-keto-3-[4-(trifluoromethyl)anilino]propyl] ester Formula: C13H16F3NO4S MolecularWeight: 339.33065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)NC1=CC=C(C=C1)C(F)(F)F)OS(=O)(=O)C

Isomeric SMILES

CC[C@@H](CC(=O)NC1=CC=C(C=C1)C(F)(F)F)OS(=O)(=O)C

InChI

InChI=1S/C13H16F3NO4S/c1-3-11(21-22(2,19)20)8-12(18)17-10-6-4-9(5-7-10)13(14,15)16/h4-7,11H,3,8H2,1-2H3,(H,17,18)/t11-/m0/s1