[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H25N3O6S/c1-14(2)26-12-4-10-20-17(22)13-27-18(23)15-5-7-16(8-6-15)28(24,25)21-11-3-9-19/h5-8,14,21H,3-4,10-13H2,1-2H3,(H,20,22)