2-[[4-[1-(2-sulfonatoethylamino)ethyl]phenyl]methylamino]ethanesulfonate

Systemtic Name: 2-[[4-[1-(2-sulfonatoethylamino)ethyl]phenyl]methylamino]ethanesulfonate Openeye Name: 2-[[4-[1-(2-sulfonatoethylamino)ethyl]phenyl]methylamino]ethanesulfonate CAS Name: 2-[[4-[1-(2-sulfonatoethylamino)ethyl]phenyl]methylamino]ethanesulfonate IUPAC Name: 2-[[4-[1-(2-sulfonatoethylamino)ethyl]phenyl]methylamino]ethanesulfonate Traditional Name: 2-[[4-[1-(2-sulfonatoethylamino)ethyl]benzyl]amino]ethanesulfonate Formula: C13H20N2O6S2-2 MolecularWeight: 364.4377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CNCCS(=O)(=O)[O-])NCCS(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)CNCCS(=O)(=O)[O-])NCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H22N2O6S2/c1-11(15-7-9-23(19,20)21)13-4-2-12(3-5-13)10-14-6-8-22(16,17)18/h2-5,11,14-15H,6-10H2,1H3,(H,16,17,18)(H,19,20,21)/p-2