7-(azepan-1-yl)-3-(2,5-dimethylphenyl)sulfonyl-6-fluoranyl-1-propyl-quinolin-4-one

Systemtic Name: 7-(azepan-1-yl)-3-(2,5-dimethylphenyl)sulfonyl-6-fluoranyl-1-propyl-quinolin-4-one Openeye Name: 7-(azepan-1-yl)-3-(2,5-dimethylphenyl)sulfonyl-6-fluoro-1-propyl-quinolin-4-one CAS Name: 7-(1-azepanyl)-3-(2,5-dimethylphenyl)sulfonyl-6-fluoro-1-propyl-4-quinolinone IUPAC Name: 7-(azepan-1-yl)-3-(2,5-dimethylphenyl)sulfonyl-6-fluoro-1-propylquinolin-4-one Traditional Name: 7-(azepan-1-yl)-3-(2,5-dimethylphenyl)sulfonyl-6-fluoro-1-propyl-4-quinolone Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H31FN2O3S/c1-4-11-29-17-25(33(31,32)24-14-18(2)9-10-19(24)3)26(30)20-15-21(27)23(16-22(20)29)28-12-7-5-6-8-13-28/h9-10,14-17H,4-8,11-13H2,1-3H3