3-[(4-chlorophenyl)methylamino]benzenesulfonic acid

Systemtic Name: 3-[(4-chlorophenyl)methylamino]benzenesulfonic acid Openeye Name: 3-[(4-chlorophenyl)methylamino]benzenesulfonic acid CAS Name: 3-[(4-chlorophenyl)methylamino]benzenesulfonic acid IUPAC Name: 3-[(4-chlorophenyl)methylamino]benzenesulfonic acid Traditional Name: 3-[(4-chlorobenzyl)amino]besylic acid Formula: C13H12ClNO3S MolecularWeight: 297.75728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClNO3S/c14-11-6-4-10(5-7-11)9-15-12-2-1-3-13(8-12)19(16,17)18/h1-8,15H,9H2,(H,16,17,18)