[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[oxo-[[(1S)-1-phenylpropyl]amino]methyl]-2-phenyl-3-quinolinyl] ester IUPAC Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] ester Formula: C26H21F3N2O4S MolecularWeight: 514.51615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C26H21F3N2O4S/c1-2-20(17-11-5-3-6-12-17)31-25(32)22-19-15-9-10-16-21(19)30-23(18-13-7-4-8-14-18)24(22)35-36(33,34)26(27,28)29/h3-16,20H,2H2,1H3,(H,31,32)/t20-/m0/s1