4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-fluoranyl-propyl]-N-oxidanyl-N-(3-pyridin-2-ylsulfanylpropyl)piperidine-4-carboxamide

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-fluoranyl-propyl]-N-oxidanyl-N-(3-pyridin-2-ylsulfanylpropyl)piperidine-4-carboxamide Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-N-hydroxy-N-[3-(2-pyridylsulfanyl)propyl]piperidine-4-carboxamide CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-fluoropropyl]-N-hydroxy-N-[3-(2-pyridinylthio)propyl]-4-piperidinecarboxamide IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-N-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)piperidine-4-carboxamide Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-N-hydroxy-N-[3-(2-pyridylthio)propyl]isonipecotamide Formula: C27H32ClFN4O3S MolecularWeight: 547.084383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCNCC3)C(=O)N(CCCSC4=CC=CC=N4)O)F

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCNCC3)C(=O)N(CCCSC4=CC=CC=N4)O)F

InChI

InChI=1S/C27H32ClFN4O3S/c1-36-19-6-7-23-20(17-19)25(21(28)18-32-23)22(29)8-9-27(10-13-30-14-11-27)26(34)33(35)15-4-16-37-24-5-2-3-12-31-24/h2-3,5-7,12,17-18,22,30,35H,4,8-11,13-16H2,1H3