[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid

Systemtic Name: [2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid Openeye Name: [2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid CAS Name: [2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylthio]ethylamino]-methyliminomethanesulfonic acid IUPAC Name: [2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-methyliminomethanesulfonic acid Traditional Name: methylimino-[2-[(4-methylol-1H-imidazol-5-yl)methylthio]ethylamino]methanesulfonic acid Formula: C9H16N4O4S2 MolecularWeight: 308.37774

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=C(N=CN1)CO)S(=O)(=O)O

Isomeric SMILES

CN=C(NCCSCC1=C(N=CN1)CO)S(=O)(=O)O

InChI

InChI=1S/C9H16N4O4S2/c1-10-9(19(15,16)17)11-2-3-18-5-8-7(4-14)12-6-13-8/h6,14H,2-5H2,1H3,(H,10,11)(H,12,13)(H,15,16,17)