3-[(3,4-dichlorophenyl)methylamino]benzenesulfonic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)methylamino]benzenesulfonic acid Openeye Name: 3-[(3,4-dichlorophenyl)methylamino]benzenesulfonic acid CAS Name: 3-[(3,4-dichlorophenyl)methylamino]benzenesulfonic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methylamino]benzenesulfonic acid Traditional Name: 3-[(3,4-dichlorobenzyl)amino]besylic acid Formula: C13H11Cl2NO3S MolecularWeight: 332.20234

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2NO3S/c14-12-5-4-9(6-13(12)15)8-16-10-2-1-3-11(7-10)20(17,18)19/h1-7,16H,8H2,(H,17,18,19)