[phenethyl-(2-phenylquinolin-4-yl)carbonyl-amino] tris(fluoranyl)methanesulfonate

Systemtic Name: [phenethyl-(2-phenylquinolin-4-yl)carbonyl-amino] tris(fluoranyl)methanesulfonate Openeye Name: [phenethyl-(2-phenylquinoline-4-carbonyl)amino] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [[oxo-(2-phenyl-4-quinolinyl)methyl]-phenethylamino] ester IUPAC Name: [phenethyl-(2-phenylquinoline-4-carbonyl)amino] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [phenethyl-(2-phenylquinoline-4-carbonyl)amino] ester Formula: C25H19F3N2O4S MolecularWeight: 500.48957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O4S/c26-25(27,28)35(32,33)34-30(16-15-18-9-3-1-4-10-18)24(31)21-17-23(19-11-5-2-6-12-19)29-22-14-8-7-13-20(21)22/h1-14,17H,15-16H2