4-[1,3-bis(azanyl)propan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[1,3-bis(azanyl)propan-2-yl]benzenesulfonic acid Openeye Name: 4-[2-amino-1-(aminomethyl)ethyl]benzenesulfonic acid CAS Name: 4-(1,3-diaminopropan-2-yl)benzenesulfonic acid IUPAC Name: 4-(1,3-diaminopropan-2-yl)benzenesulfonic acid Traditional Name: 4-[2-amino-1-(aminomethyl)ethyl]besylic acid Formula: C9H14N2O3S MolecularWeight: 230.28406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CN)CN)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CN)CN)S(=O)(=O)O

InChI

InChI=1S/C9H14N2O3S/c10-5-8(6-11)7-1-3-9(4-2-7)15(12,13)14/h1-4,8H,5-6,10-11H2,(H,12,13,14)