[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-keto-2-[(4-methylbenzyl)amino]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)OCC(=O)NCC2=CC=C(C=C2)C)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C)F

InChI

InChI=1S/C21H25FN2O5S/c1-4-24(5-2)30(27,28)19-12-17(10-11-18(19)22)21(26)29-14-20(25)23-13-16-8-6-15(3)7-9-16/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)