1-butyl-6-fluoranyl-3-(phenylsulfonyl)-7-(4-propylpiperazin-1-yl)quinolin-4-one

Systemtic Name: 1-butyl-6-fluoranyl-3-(phenylsulfonyl)-7-(4-propylpiperazin-1-yl)quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-1-butyl-6-fluoro-7-(4-propylpiperazin-1-yl)quinolin-4-one CAS Name: 3-(benzenesulfonyl)-1-butyl-6-fluoro-7-(4-propyl-1-piperazinyl)-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-1-butyl-6-fluoro-7-(4-propylpiperazin-1-yl)quinolin-4-one Traditional Name: 3-besyl-1-butyl-6-fluoro-7-(4-propylpiperazino)-4-quinolone Formula: C26H32FN3O3S MolecularWeight: 485.613983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCC)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCC)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H32FN3O3S/c1-3-5-12-30-19-25(34(32,33)20-9-7-6-8-10-20)26(31)21-17-22(27)24(18-23(21)30)29-15-13-28(11-4-2)14-16-29/h6-10,17-19H,3-5,11-16H2,1-2H3