4-(2-pyridin-2-ylethylamino)benzenesulfonic acid

Systemtic Name: 4-(2-pyridin-2-ylethylamino)benzenesulfonic acid Openeye Name: 4-[2-(2-pyridyl)ethylamino]benzenesulfonic acid CAS Name: 4-[2-(2-pyridinyl)ethylamino]benzenesulfonic acid IUPAC Name: 4-(2-pyridin-2-ylethylamino)benzenesulfonic acid Traditional Name: 4-[2-(2-pyridyl)ethylamino]besylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O3S/c16-19(17,18)13-6-4-12(5-7-13)15-10-8-11-3-1-2-9-14-11/h1-7,9,15H,8,10H2,(H,16,17,18)