[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1COCCN1C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C22H23N3O6S/c23-11-4-12-24-32(28,29)19-9-7-18(8-10-19)22(27)31-20(17-5-2-1-3-6-17)21(26)25-13-15-30-16-14-25/h1-3,5-10,20,24H,4,12-16H2/t20-/m0/s1