3-[[5-(diethylsulfamoyl)-2-(2-hydroxyethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-(2-hydroxyethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[5-(diethylsulfamoyl)-2-(2-hydroxyethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[5-(diethylsulfamoyl)-2-(2-hydroxyethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[5-(diethylsulfamoyl)-2-(2-hydroxyethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[5-(diethylsulfamoyl)-2-(2-hydroxyethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C20H27N3O7S2 MolecularWeight: 485.57428

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCO)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCO)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C20H27N3O7S2/c1-4-23(5-2)32(29,30)16-8-9-17(21-10-11-24)18(13-16)22-31(27,28)19-12-15(20(25)26)7-6-14(19)3/h6-9,12-13,21-22,24H,4-5,10-11H2,1-3H3,(H,25,26)