[4-(4-ethoxyphenyl)sulfonyl-6-fluoranyl-quinolin-3-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-(4-ethoxyphenyl)sulfonyl-6-fluoranyl-quinolin-3-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(4-ethoxyphenyl)sulfonyl-6-fluoro-3-quinolyl]-(4-ethylphenyl)methanone CAS Name: [4-(4-ethoxyphenyl)sulfonyl-6-fluoro-3-quinolinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-(4-ethylphenyl)methanone Traditional Name: (4-ethylphenyl)-(6-fluoro-4-p-phenetylsulfonyl-3-quinolyl)methanone Formula: C26H22FNO4S MolecularWeight: 463.520583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)OCC)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)OCC)F

InChI

InChI=1S/C26H22FNO4S/c1-3-17-5-7-18(8-6-17)25(29)23-16-28-24-14-9-19(27)15-22(24)26(23)33(30,31)21-12-10-20(11-13-21)32-4-2/h5-16H,3-4H2,1-2H3