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

Systemtic Name: [4-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]carbamoyl]-2-phenyl-quinolin-3-yl] methanesulfonate Openeye Name: [4-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]carbamoyl]-2-phenyl-3-quinolyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(S)-cyclopropyl-(3-fluorophenyl)methyl]amino]-oxomethyl]-2-phenyl-3-quinolinyl] ester IUPAC Name: [4-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]carbamoyl]-2-phenylquinolin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]carbamoyl]-2-phenyl-3-quinolyl] ester Formula: C27H23FN2O4S MolecularWeight: 490.545923

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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)F

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)F

InChI

InChI=1S/C27H23FN2O4S/c1-35(32,33)34-26-23(27(31)30-24(18-14-15-18)19-10-7-11-20(28)16-19)21-12-5-6-13-22(21)29-25(26)17-8-3-2-4-9-17/h2-13,16,18,24H,14-15H2,1H3,(H,30,31)/t24-/m0/s1