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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-4-24(5-2)30(27,28)18-11-9-10-17(14-18)20(26)29-16(3)19(25)23-21(15-22)12-7-6-8-13-21/h9-11,14,16H,4-8,12-13H2,1-3H3,(H,23,25)