4-[2-(propan-2-ylamino)ethylamino]benzenesulfonic acid

Systemtic Name: 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonic acid Openeye Name: 4-[2-(isopropylamino)ethylamino]benzenesulfonic acid CAS Name: 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonic acid IUPAC Name: 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonic acid Traditional Name: 4-[2-(isopropylamino)ethylamino]besylic acid Formula: C11H18N2O3S MolecularWeight: 258.33722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H18N2O3S/c1-9(2)12-7-8-13-10-3-5-11(6-4-10)17(14,15)16/h3-6,9,12-13H,7-8H2,1-2H3,(H,14,15,16)