[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H32N4O6S MolecularWeight: 480.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCOCC2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCOCC2

InChI

InChI=1S/C22H32N4O6S/c1-15(2)22(4,14-23)24-20(27)16(3)32-21(28)18-13-17(33(29,30)25(5)6)7-8-19(18)26-9-11-31-12-10-26/h7-8,13,15-16H,9-12H2,1-6H3,(H,24,27)