2-[(4-azanyl-2-chloranyl-phenyl)sulfonyl-ethyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(4-azanyl-2-chloranyl-phenyl)sulfonyl-ethyl-amino]ethanesulfonic acid Openeye Name: 2-[(4-amino-2-chloro-phenyl)sulfonyl-ethyl-amino]ethanesulfonic acid CAS Name: 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]ethanesulfonic acid IUPAC Name: 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]ethanesulfonic acid Traditional Name: 2-[(4-amino-2-chloro-phenyl)sulfonyl-ethyl-amino]ethanesulfonic acid Formula: C10H15ClN2O5S2 MolecularWeight: 342.8195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)(=O)O)S(=O)(=O)C1=C(C=C(C=C1)N)Cl

Isomeric SMILES

CCN(CCS(=O)(=O)O)S(=O)(=O)C1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C10H15ClN2O5S2/c1-2-13(5-6-19(14,15)16)20(17,18)10-4-3-8(12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3,(H,14,15,16)