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

Systemtic Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] cyclopropanesulfonate Openeye Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] cyclopropanesulfonate CAS Name: cyclopropanesulfonic 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] cyclopropanesulfonate Traditional Name: cyclopropanesulfonic acid [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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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)C5CC5

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)C5CC5

InChI

InChI=1S/C28H26N2O4S/c1-2-23(19-11-5-3-6-12-19)30-28(31)25-22-15-9-10-16-24(22)29-26(20-13-7-4-8-14-20)27(25)34-35(32,33)21-17-18-21/h3-16,21,23H,2,17-18H2,1H3,(H,30,31)/t23-/m0/s1