[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(tert-butylsulfamoyl)benzoate CAS Name: 3-(tert-butylsulfamoyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(tert-butylsulfamoyl)benzoate Traditional Name: 3-(tert-butylsulfamoyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H27N3O5S/c1-19(2,3)23-29(26,27)16-9-7-8-15(12-16)18(25)28-13-17(24)22-20(14-21)10-5-4-6-11-20/h7-9,12,23H,4-6,10-11,13H2,1-3H3,(H,22,24)