4-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzenesulfonic acid

Systemtic Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzenesulfonic acid Openeye Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzenesulfonic acid CAS Name: 4-[2-(1-methyl-2-pyrrolidinyl)ethylamino]benzenesulfonic acid IUPAC Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzenesulfonic acid Traditional Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylamino]besylic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CN1CCCC1CCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H20N2O3S/c1-15-10-2-3-12(15)8-9-14-11-4-6-13(7-5-11)19(16,17)18/h4-7,12,14H,2-3,8-10H2,1H3,(H,16,17,18)