4-chloranyl-3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[3-(diethylsulfamoyl)-4-methylphenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[3-(diethylsulfamoyl)-4-methylphenyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]sulfamoyl]benzoic acid Formula: C18H21ClN2O6S2 MolecularWeight: 460.95214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C

InChI

InChI=1S/C18H21ClN2O6S2/c1-4-21(5-2)29(26,27)16-11-14(8-6-12(16)3)20-28(24,25)17-10-13(18(22)23)7-9-15(17)19/h6-11,20H,4-5H2,1-3H3,(H,22,23)