[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C21H25FN2O5S/c1-5-24(6-2)30(27,28)17-11-12-19(22)18(13-17)21(26)29-15(4)20(25)23-16-9-7-14(3)8-10-16/h7-13,15H,5-6H2,1-4H3,(H,23,25)