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

Systemtic Name: methylimino-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]methanesulfonic acid Openeye Name: [2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid CAS Name: [2-[(3-hydroxy-2-pyridinyl)methylthio]ethylamino]-methyliminomethanesulfonic acid IUPAC Name: [2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethylamino]-methyliminomethanesulfonic acid Traditional Name: [2-[(3-hydroxy-2-pyridyl)methylthio]ethylamino]-methylimino-methanesulfonic acid Formula: C10H15N3O4S2 MolecularWeight: 305.3738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O4S2/c1-11-10(19(15,16)17)13-5-6-18-7-8-9(14)3-2-4-12-8/h2-4,14H,5-7H2,1H3,(H,11,13)(H,15,16,17)