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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28ClN3O5S MolecularWeight: 469.98212

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O5S/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)