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

Systemtic Name: 5-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-3-thenoic acid Formula: C18H25N3O6S3 MolecularWeight: 475.6026

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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(=CS2)C(=O)O

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC(=CS2)C(=O)O

InChI

InChI=1S/C18H25N3O6S3/c1-4-9-19-15-8-7-14(30(26,27)21(5-2)6-3)11-16(15)20-29(24,25)17-10-13(12-28-17)18(22)23/h7-8,10-12,19-20H,4-6,9H2,1-3H3,(H,22,23)