6-fluoranyl-7-(3-methylpiperidin-1-yl)-3-(phenylsulfonyl)-1-propyl-quinolin-4-one

Systemtic Name: 6-fluoranyl-7-(3-methylpiperidin-1-yl)-3-(phenylsulfonyl)-1-propyl-quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-6-fluoro-7-(3-methyl-1-piperidyl)-1-propyl-quinolin-4-one CAS Name: 3-(benzenesulfonyl)-6-fluoro-7-(3-methyl-1-piperidinyl)-1-propyl-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-6-fluoro-7-(3-methylpiperidin-1-yl)-1-propylquinolin-4-one Traditional Name: 3-besyl-6-fluoro-7-(3-methylpiperidino)-1-propyl-4-quinolone Formula: C24H27FN2O3S MolecularWeight: 442.546183

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC(C3)C)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC(C3)C)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27FN2O3S/c1-3-11-26-16-23(31(29,30)18-9-5-4-6-10-18)24(28)19-13-20(25)22(14-21(19)26)27-12-7-8-17(2)15-27/h4-6,9-10,13-14,16-17H,3,7-8,11-12,15H2,1-2H3