3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[[2-(diethylaminomethyl)benzyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-4-22(5-2)14-17-9-7-6-8-16(17)13-21-28(25,26)19-12-15(20(23)24)10-11-18(19)27-3/h6-12,21H,4-5,13-14H2,1-3H3,(H,23,24)