[4-[[(1S)-1-(3-fluorophenyl)propyl]carbamoyl]-2-phenyl-quinolin-3-yl] methanesulfonate

Systemtic Name: [4-[[(1S)-1-(3-fluorophenyl)propyl]carbamoyl]-2-phenyl-quinolin-3-yl] methanesulfonate Openeye Name: [4-[[(1S)-1-(3-fluorophenyl)propyl]carbamoyl]-2-phenyl-3-quinolyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(1S)-1-(3-fluorophenyl)propyl]amino]-oxomethyl]-2-phenyl-3-quinolinyl] ester IUPAC Name: [4-[[(1S)-1-(3-fluorophenyl)propyl]carbamoyl]-2-phenylquinolin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(1S)-1-(3-fluorophenyl)propyl]carbamoyl]-2-phenyl-3-quinolyl] ester Formula: C26H23FN2O4S MolecularWeight: 478.535223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23FN2O4S/c1-3-21(18-12-9-13-19(27)16-18)29-26(30)23-20-14-7-8-15-22(20)28-24(17-10-5-4-6-11-17)25(23)33-34(2,31)32/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-/m0/s1