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

Systemtic Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] methanesulfonate Openeye Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] ester Formula: C26H24N2O4S MolecularWeight: 460.54476

Click to see the large picture

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

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

InChI

InChI=1S/C26H24N2O4S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)32-33(2,30)31/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-/m0/s1