[2-(4-bromanyl-3-methyl-phenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-(4-bromanyl-3-methyl-phenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-(4-bromo-3-methyl-phenyl)-1-(3-fluoro-4-methylsulfonyl-phenyl)-2-oxo-ethyl] acetate CAS Name: acetic acid [2-(4-bromo-3-methylphenyl)-1-(3-fluoro-4-methylsulfonylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylphenyl)-1-(3-fluoro-4-methylsulfonylphenyl)-2-oxoethyl] acetate Traditional Name: acetic acid [2-(4-bromo-3-methyl-phenyl)-1-(3-fluoro-4-mesyl-phenyl)-2-keto-ethyl] ester Formula: C18H16BrFO5S MolecularWeight: 443.284043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C(C2=CC(=C(C=C2)S(=O)(=O)C)F)OC(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C(C2=CC(=C(C=C2)S(=O)(=O)C)F)OC(=O)C)Br

InChI

InChI=1S/C18H16BrFO5S/c1-10-8-12(4-6-14(10)19)17(22)18(25-11(2)21)13-5-7-16(15(20)9-13)26(3,23)24/h4-9,18H,1-3H3