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

Systemtic Name: 4-[[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[5-(diethylsulfamoyl)-2-morpholino-phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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