[3-methylbutanoyl(phenethyl)amino] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-methylbutanoyl(phenethyl)amino] tris(fluoranyl)methanesulfonate Openeye Name: [3-methylbutanoyl(phenethyl)amino] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(3-methyl-1-oxobutyl)-phenethylamino] ester IUPAC Name: [3-methylbutanoyl(phenethyl)amino] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [isovaleryl(phenethyl)amino] ester Formula: C14H18F3NO4S MolecularWeight: 353.35723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)N(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H18F3NO4S/c1-11(2)10-13(19)18(22-23(20,21)14(15,16)17)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3