[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-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=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C)F

Isomeric SMILES

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

InChI

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