5-azanyl-2-[(3-azanyl-2-oxidanyl-propyl)amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(3-azanyl-2-oxidanyl-propyl)amino]benzenesulfonic acid Openeye Name: 5-amino-2-[(3-amino-2-hydroxy-propyl)amino]benzenesulfonic acid CAS Name: 5-amino-2-[(3-amino-2-hydroxypropyl)amino]benzenesulfonic acid IUPAC Name: 5-amino-2-[(3-amino-2-hydroxypropyl)amino]benzenesulfonic acid Traditional Name: 5-amino-2-[(3-amino-2-hydroxy-propyl)amino]besylic acid Formula: C9H15N3O4S MolecularWeight: 261.2981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)NCC(CN)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)NCC(CN)O

InChI

InChI=1S/C9H15N3O4S/c10-4-7(13)5-12-8-2-1-6(11)3-9(8)17(14,15)16/h1-3,7,12-13H,4-5,10-11H2,(H,14,15,16)