[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-morpholin-4-yl-5-sulfamoyl-benzoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-morpholin-4-yl-5-sulfamoyl-benzoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-morpholino-5-sulfamoyl-benzoate CAS Name: 2-(4-morpholinyl)-5-sulfamoylbenzoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-morpholin-4-yl-5-sulfamoylbenzoate Traditional Name: 2-morpholino-5-sulfamoyl-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-14-4-5-17(12-15(14)2)21(25)16(3)30-22(26)19-13-18(31(23,27)28)6-7-20(19)24-8-10-29-11-9-24/h4-7,12-13,16H,8-11H2,1-3H3,(H2,23,27,28)