[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

InChI

InChI=1S/C23H28N2O6S/c1-16-5-6-17(2)19(13-16)22(26)15-31-23(27)20-14-18(32(28,29)24(3)4)7-8-21(20)25-9-11-30-12-10-25/h5-8,13-14H,9-12,15H2,1-4H3