[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-morpholin-4-yl-5-sulfamoyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-morpholin-4-yl-5-sulfamoyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-morpholino-5-sulfamoyl-benzoate CAS Name: 2-(4-morpholinyl)-5-sulfamoylbenzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-morpholin-4-yl-5-sulfamoylbenzoate Traditional Name: 2-morpholino-5-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3)C)C

InChI

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