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

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H28N2O7S2 MolecularWeight: 484.58622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

InChI

InChI=1S/C21H28N2O7S2/c1-6-23(7-2)32(28,29)17-9-10-19(30-8-3)18(13-17)22-31(26,27)20-12-16(21(24)25)11-14(4)15(20)5/h9-13,22H,6-8H2,1-5H3,(H,24,25)