3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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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(=CC(=C2C)C)C(=O)O

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

InChI

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