3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoranyl-7-(4-phenylpiperazin-1-yl)quinolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoranyl-7-(4-phenylpiperazin-1-yl)quinolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-phenylpiperazin-1-yl)quinolin-4-one CAS Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-phenyl-1-piperazinyl)-4-quinolinone IUPAC Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-phenylpiperazin-1-yl)quinolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-phenylpiperazino)-4-quinolone Formula: C29H30FN3O3S MolecularWeight: 519.630203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4)F)S(=O)(=O)C5=CC(=CC(=C5)C)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4)F)S(=O)(=O)C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C29H30FN3O3S/c1-4-31-19-28(37(35,36)23-15-20(2)14-21(3)16-23)29(34)24-17-25(30)27(18-26(24)31)33-12-10-32(11-13-33)22-8-6-5-7-9-22/h5-9,14-19H,4,10-13H2,1-3H3