2-bromanyl-5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[2-(diethylaminomethyl)benzyl]sulfamoyl]benzoic acid Formula: C19H23BrN2O4S MolecularWeight: 455.36592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C19H23BrN2O4S/c1-3-22(4-2)13-15-8-6-5-7-14(15)12-21-27(25,26)16-9-10-18(20)17(11-16)19(23)24/h5-11,21H,3-4,12-13H2,1-2H3,(H,23,24)