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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28FN3O5S MolecularWeight: 453.527523

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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(CCCCC2)C#N)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)F

InChI

InChI=1S/C21H28FN3O5S/c1-4-25(5-2)31(28,29)18-13-16(9-10-17(18)22)20(27)30-15(3)19(26)24-21(14-23)11-7-6-8-12-21/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,24,26)