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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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