[2-butanoyl-5-(butanoylamino)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-butanoyl-5-(butanoylamino)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-butanoyl-5-(butanoylamino)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(1-oxobutyl)-5-(1-oxobutylamino)phenyl] ester IUPAC Name: [2-butanoyl-5-(butanoylamino)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (5-butyramido-2-butyryl-phenyl) ester Formula: C15H18F3NO5S MolecularWeight: 381.36733

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(C=C1)NC(=O)CCC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC(=O)C1=C(C=C(C=C1)NC(=O)CCC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H18F3NO5S/c1-3-5-12(20)11-8-7-10(19-14(21)6-4-2)9-13(11)24-25(22,23)15(16,17)18/h7-9H,3-6H2,1-2H3,(H,19,21)