2-azanyl-4-(2-azanylethylcarbamoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(2-azanylethylcarbamoylamino)benzenesulfonic acid Openeye Name: 2-amino-4-(2-aminoethylcarbamoylamino)benzenesulfonic acid CAS Name: 2-amino-4-[[(2-aminoethylamino)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-(2-aminoethylcarbamoylamino)benzenesulfonic acid Traditional Name: 2-amino-4-(2-aminoethylcarbamoylamino)besylic acid Formula: C9H14N4O4S MolecularWeight: 274.29686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NCCN)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NCCN)N)S(=O)(=O)O

InChI

InChI=1S/C9H14N4O4S/c10-3-4-12-9(14)13-6-1-2-8(7(11)5-6)18(15,16)17/h1-2,5H,3-4,10-11H2,(H2,12,13,14)(H,15,16,17)