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

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22FN3O5S MolecularWeight: 447.479883

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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#N)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#N)F

InChI

InChI=1S/C21H22FN3O5S/c1-4-25(5-2)31(28,29)19-12-16(8-11-18(19)22)21(27)30-14(3)20(26)24-17-9-6-15(13-23)7-10-17/h6-12,14H,4-5H2,1-3H3,(H,24,26)