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

Systemtic Name: 4-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]benzoic acid Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H27N3O6S2/c1-4-13-21-18-12-11-17(31(28,29)23(5-2)6-3)14-19(18)22-30(26,27)16-9-7-15(8-10-16)20(24)25/h7-12,14,21-22H,4-6,13H2,1-3H3,(H,24,25)