1-butyl-3-(2,5-dimethylphenyl)sulfonyl-6,7-bis(fluoranyl)quinolin-4-one

Systemtic Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-6,7-bis(fluoranyl)quinolin-4-one Openeye Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-6,7-difluoro-quinolin-4-one CAS Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-6,7-difluoro-4-quinolinone IUPAC Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-6,7-difluoroquinolin-4-one Traditional Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-6,7-difluoro-4-quinolone Formula: C21H21F2NO3S MolecularWeight: 405.458146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)F)F)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)F)F)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21F2NO3S/c1-4-5-8-24-12-20(21(25)15-10-16(22)17(23)11-18(15)24)28(26,27)19-9-13(2)6-7-14(19)3/h6-7,9-12H,4-5,8H2,1-3H3