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

Systemtic Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[2-(butylamino)-5-(diethylsulfamoyl)phenyl]sulfamoyl]-3-thenoic acid Formula: C19H27N3O6S3 MolecularWeight: 489.62918

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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(=CS2)C(=O)O

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC(=CS2)C(=O)O

InChI

InChI=1S/C19H27N3O6S3/c1-4-7-10-20-16-9-8-15(31(27,28)22(5-2)6-3)12-17(16)21-30(25,26)18-11-14(13-29-18)19(23)24/h8-9,11-13,20-21H,4-7,10H2,1-3H3,(H,23,24)