[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid

Systemtic Name: [2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid Openeye Name: [2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid CAS Name: [2-[(3-methoxy-2-pyridinyl)methylthio]ethylamino]-methyliminomethanesulfonic acid IUPAC Name: [2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-methyliminomethanesulfonic acid Traditional Name: [2-[(3-methoxy-2-pyridyl)methylthio]ethylamino]-methylimino-methanesulfonic acid Formula: C11H17N3O4S2 MolecularWeight: 319.40038

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=C(C=CC=N1)OC)S(=O)(=O)O

Isomeric SMILES

CN=C(NCCSCC1=C(C=CC=N1)OC)S(=O)(=O)O

InChI

InChI=1S/C11H17N3O4S2/c1-12-11(20(15,16)17)14-6-7-19-8-9-10(18-2)4-3-5-13-9/h3-5H,6-8H2,1-2H3,(H,12,14)(H,15,16,17)