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

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O5S/c1-4-25(5-2)31(28,29)20-13-18(11-12-19(20)23)22(27)30-15-21(26)24-14-16(3)17-9-7-6-8-10-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,26)