[2-phenyl-4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]quinolin-3-yl] methanesulfonate

Systemtic Name: [2-phenyl-4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]quinolin-3-yl] methanesulfonate Openeye Name: [2-phenyl-4-[[phenyl(2-pyridyl)methyl]carbamoyl]-3-quinolyl] methanesulfonate CAS Name: methanesulfonic acid [4-[oxo-[[phenyl(2-pyridinyl)methyl]amino]methyl]-2-phenyl-3-quinolinyl] ester IUPAC Name: [2-phenyl-4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]quinolin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-phenyl-4-[[phenyl(2-pyridyl)methyl]carbamoyl]-3-quinolyl] ester Formula: C29H23N3O4S MolecularWeight: 509.57562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CS(=O)(=O)OC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C29H23N3O4S/c1-37(34,35)36-28-25(22-16-8-9-17-23(22)31-27(28)21-14-6-3-7-15-21)29(33)32-26(20-12-4-2-5-13-20)24-18-10-11-19-30-24/h2-19,26H,1H3,(H,32,33)