4-chloranyl-3-[[2-(phenethylamino)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[2-(phenethylamino)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-(phenethylamino)phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[2-(phenethylamino)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[2-(phenethylamino)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-(phenethylamino)phenyl]sulfamoyl]benzoic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-17-11-10-16(21(25)26)14-20(17)29(27,28)24-19-9-5-4-8-18(19)23-13-12-15-6-2-1-3-7-15/h1-11,14,23-24H,12-13H2,(H,25,26)