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

Systemtic Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] ethanesulfonate Openeye Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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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)CC

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)CC

InChI

InChI=1S/C27H26N2O4S/c1-3-22(19-13-7-5-8-14-19)29-27(30)24-21-17-11-12-18-23(21)28-25(20-15-9-6-10-16-20)26(24)33-34(31,32)4-2/h5-18,22H,3-4H2,1-2H3,(H,29,30)/t22-/m0/s1