2-[[6-(2-azanylethylamino)cyclohexa-1,5-dien-1-yl]sulfonylamino]ethanesulfonic acid

Systemtic Name: 2-[[6-(2-azanylethylamino)cyclohexa-1,5-dien-1-yl]sulfonylamino]ethanesulfonic acid Openeye Name: 2-[[6-(2-aminoethylamino)cyclohexa-1,5-dien-1-yl]sulfonylamino]ethanesulfonic acid CAS Name: 2-[[6-(2-aminoethylamino)-1-cyclohexa-1,5-dienyl]sulfonylamino]ethanesulfonic acid IUPAC Name: 2-[[6-(2-aminoethylamino)cyclohexa-1,5-dien-1-yl]sulfonylamino]ethanesulfonic acid Traditional Name: 2-[[6-(2-aminoethylamino)cyclohexa-1,5-dien-1-yl]sulfonylamino]ethanesulfonic acid Formula: C10H19N3O5S2 MolecularWeight: 325.40496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=C1)NCCN)S(=O)(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1CC=C(C(=C1)NCCN)S(=O)(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C10H19N3O5S2/c11-5-6-12-9-3-1-2-4-10(9)20(17,18)13-7-8-19(14,15)16/h3-4,12-13H,1-2,5-8,11H2,(H,14,15,16)