3-(3,5-dimethylphenyl)sulfonyl-6-fluoranyl-1-methyl-7-[4-(phenylmethyl)piperazin-1-yl]quinolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)sulfonyl-6-fluoranyl-1-methyl-7-[4-(phenylmethyl)piperazin-1-yl]quinolin-4-one Openeye Name: 7-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-1-methyl-quinolin-4-one CAS Name: 3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-1-methyl-7-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinone IUPAC Name: 7-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-1-methylquinolin-4-one Traditional Name: 7-(4-benzylpiperazino)-3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-1-methyl-4-quinolone Formula: C29H30FN3O3S MolecularWeight: 519.630203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)CC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)CC5=CC=CC=C5)C)C

InChI

InChI=1S/C29H30FN3O3S/c1-20-13-21(2)15-23(14-20)37(35,36)28-19-31(3)26-17-27(25(30)16-24(26)29(28)34)33-11-9-32(10-12-33)18-22-7-5-4-6-8-22/h4-8,13-17,19H,9-12,18H2,1-3H3