[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(diethylsulfamoyl)benzoate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(diethylsulfamoyl)benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-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)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

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