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

Systemtic Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]-2-methyl-benzoic acid Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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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(=C(C=C2)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O6S2/c1-5-8-13-23-20-12-11-18(33(30,31)25(6-2)7-3)15-21(20)24-32(28,29)17-10-9-16(4)19(14-17)22(26)27/h9-12,14-15,23-24H,5-8,13H2,1-4H3,(H,26,27)