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

Systemtic Name: 7-(azepan-1-yl)-6-fluoranyl-3-(phenylsulfonyl)-1-propyl-quinolin-4-one Openeye Name: 7-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoro-1-propyl-quinolin-4-one CAS Name: 7-(1-azepanyl)-3-(benzenesulfonyl)-6-fluoro-1-propyl-4-quinolinone IUPAC Name: 7-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoro-1-propylquinolin-4-one Traditional Name: 7-(azepan-1-yl)-3-besyl-6-fluoro-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)N3CCCCCC3)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27FN2O3S/c1-2-12-27-17-23(31(29,30)18-10-6-5-7-11-18)24(28)19-15-20(25)22(16-21(19)27)26-13-8-3-4-9-14-26/h5-7,10-11,15-17H,2-4,8-9,12-14H2,1H3