[3-(1H-imidazol-2-ylmethylsulfanyl)propylamino]-methylimino-methanesulfonic acid

Systemtic Name: [3-(1H-imidazol-2-ylmethylsulfanyl)propylamino]-methylimino-methanesulfonic acid Openeye Name: [3-(1H-imidazol-2-ylmethylsulfanyl)propylamino]-methylimino-methanesulfonic acid CAS Name: [3-(1H-imidazol-2-ylmethylthio)propylamino]-methyliminomethanesulfonic acid IUPAC Name: [3-(1H-imidazol-2-ylmethylsulfanyl)propylamino]-methyliminomethanesulfonic acid Traditional Name: [3-(1H-imidazol-2-ylmethylthio)propylamino]-methylimino-methanesulfonic acid Formula: C9H16N4O3S2 MolecularWeight: 292.37834

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCCSCC1=NC=CN1)S(=O)(=O)O

Isomeric SMILES

CN=C(NCCCSCC1=NC=CN1)S(=O)(=O)O

InChI

InChI=1S/C9H16N4O3S2/c1-10-9(18(14,15)16)13-3-2-6-17-7-8-11-4-5-12-8/h4-5H,2-3,6-7H2,1H3,(H,10,13)(H,11,12)(H,14,15,16)