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

Systemtic Name: [4-[[(S)-cyclopropyl(phenyl)methyl]carbamoyl]-2-phenyl-quinolin-3-yl] methanesulfonate Openeye Name: [4-[[(S)-cyclopropyl(phenyl)methyl]carbamoyl]-2-phenyl-3-quinolyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(S)-cyclopropyl(phenyl)methyl]amino]-oxomethyl]-2-phenyl-3-quinolinyl] ester IUPAC Name: [4-[[(S)-cyclopropyl(phenyl)methyl]carbamoyl]-2-phenylquinolin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(S)-cyclopropyl(phenyl)methyl]carbamoyl]-2-phenyl-3-quinolyl] ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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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(C4CC4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)OC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N[C@@H](C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O4S/c1-34(31,32)33-26-23(27(30)29-24(20-16-17-20)18-10-4-2-5-11-18)21-14-8-9-15-22(21)28-25(26)19-12-6-3-7-13-19/h2-15,20,24H,16-17H2,1H3,(H,29,30)/t24-/m1/s1