[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-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)F)C

Isomeric SMILES

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

InChI

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