[(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCOCC2

InChI

InChI=1S/C16H21N3O5S/c1-12(11-17)24-16(20)14-10-13(25(21,22)18(2)3)4-5-15(14)19-6-8-23-9-7-19/h4-5,10,12H,6-9H2,1-3H3/t12-/m1/s1