3-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]benzoic acid Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H29N3O6S2/c1-4-7-13-22-19-12-11-18(32(29,30)24(5-2)6-3)15-20(19)23-31(27,28)17-10-8-9-16(14-17)21(25)26/h8-12,14-15,22-23H,4-7,13H2,1-3H3,(H,25,26)