5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-2-chloranyl-benzoic acid Openeye Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-2-chloro-benzoic acid CAS Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-2-chlorobenzoic acid IUPAC Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-2-chlorobenzoic acid Traditional Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-2-chloro-benzoic acid Formula: C18H21ClN2O6S2 MolecularWeight: 460.95214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O6S2/c1-3-4-11-21(2)29(26,27)14-7-5-13(6-8-14)20-28(24,25)15-9-10-17(19)16(12-15)18(22)23/h5-10,12,20H,3-4,11H2,1-2H3,(H,22,23)