2-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-ethyl-amino]ethanesulfonic acid

Systemtic Name: 2-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-ethyl-amino]ethanesulfonic acid Openeye Name: 2-[(4-amino-2,5-dichloro-phenyl)sulfonyl-ethyl-amino]ethanesulfonic acid CAS Name: 2-[(4-amino-2,5-dichlorophenyl)sulfonyl-ethylamino]ethanesulfonic acid IUPAC Name: 2-[(4-amino-2,5-dichlorophenyl)sulfonyl-ethylamino]ethanesulfonic acid Traditional Name: 2-[(4-amino-2,5-dichloro-phenyl)sulfonyl-ethyl-amino]ethanesulfonic acid Formula: C10H14Cl2N2O5S2 MolecularWeight: 377.26456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14Cl2N2O5S2/c1-2-14(3-4-20(15,16)17)21(18,19)10-6-7(11)9(13)5-8(10)12/h5-6H,2-4,13H2,1H3,(H,15,16,17)