3-[[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[5-(diethylsulfamoyl)-2-morpholino-phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[5-(diethylsulfamoyl)-2-morpholino-phenyl]sulfamoyl]benzoic acid Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H27N3O7S2/c1-3-24(4-2)33(29,30)18-8-9-20(23-10-12-31-13-11-23)19(15-18)22-32(27,28)17-7-5-6-16(14-17)21(25)26/h5-9,14-15,22H,3-4,10-13H2,1-2H3,(H,25,26)