[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-fluoro-benzoic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)F

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)F

InChI

InChI=1S/C21H24FNO5S/c1-5-14-7-8-15(6-2)17(11-14)20(24)13-28-21(25)18-12-16(9-10-19(18)22)29(26,27)23(3)4/h7-12H,5-6,13H2,1-4H3