[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H23N3O6S/c1-4-7-19-17(22)13-27-18(23)15-12-14(28(24,25)20(2)3)5-6-16(15)21-8-10-26-11-9-21/h1,5-6,12H,7-11,13H2,2-3H3,(H,19,22)