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

Systemtic Name: butylimino-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methanesulfonic acid Openeye Name: butylimino-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methanesulfonic acid CAS Name: butylimino-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methanesulfonic acid IUPAC Name: butylimino-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methanesulfonic acid Traditional Name: butylimino-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methanesulfonic acid Formula: C12H22N4O3S2 MolecularWeight: 334.45808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NCCSCC1=C(NC=N1)C)S(=O)(=O)O

Isomeric SMILES

CCCCN=C(NCCSCC1=C(NC=N1)C)S(=O)(=O)O

InChI

InChI=1S/C12H22N4O3S2/c1-3-4-5-13-12(21(17,18)19)14-6-7-20-8-11-10(2)15-9-16-11/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)