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

Systemtic Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-quinolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-quinolin-4-one CAS Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-quinolinone IUPAC Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-7-(4-ethylpiperazino)-6-fluoro-4-quinolone Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC(=CC(=C4)C)C)CC)F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC(=CC(=C4)C)C)CC)F

InChI

InChI=1S/C25H30FN3O3S/c1-5-27-7-9-29(10-8-27)23-15-22-20(14-21(23)26)25(30)24(16-28(22)6-2)33(31,32)19-12-17(3)11-18(4)13-19/h11-16H,5-10H2,1-4H3