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

Systemtic Name: 5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[2-(diethylaminomethyl)benzyl]sulfamoyl]-2-methyl-benzoic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-4-22(5-2)14-17-9-7-6-8-16(17)13-21-27(25,26)18-11-10-15(3)19(12-18)20(23)24/h6-12,21H,4-5,13-14H2,1-3H3,(H,23,24)