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

Systemtic Name: 7-(azepan-1-yl)-3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoranyl-quinolin-4-one Openeye Name: 7-(azepan-1-yl)-3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-quinolin-4-one CAS Name: 7-(1-azepanyl)-3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-4-quinolinone IUPAC Name: 7-(azepan-1-yl)-3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one Traditional Name: 7-(azepan-1-yl)-3-(3,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-4-quinolone Formula: C25H29FN2O3S MolecularWeight: 456.572763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C25H29FN2O3S/c1-4-27-16-24(32(30,31)19-12-17(2)11-18(3)13-19)25(29)20-14-21(26)23(15-22(20)27)28-9-7-5-6-8-10-28/h11-16H,4-10H2,1-3H3