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

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[5-(diethylsulfamoyl)-2-(propylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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

Isomeric SMILES

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

InChI

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