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

Systemtic Name: 3-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-3-4-12-20(2)28(25,26)16-10-8-15(9-11-16)19-27(23,24)17-7-5-6-14(13-17)18(21)22/h5-11,13,19H,3-4,12H2,1-2H3,(H,21,22)