[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

InChI

InChI=1S/C23H26N4O6S/c1-16(22(28)25-18-6-4-5-17(13-18)15-24)33-23(29)20-14-19(34(30,31)26(2)3)7-8-21(20)27-9-11-32-12-10-27/h4-8,13-14,16H,9-12H2,1-3H3,(H,25,28)/t16-/m0/s1