3-[N'-(2-methylphenyl)carbamimidoyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[N'-(2-methylphenyl)carbamimidoyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[N'-(o-tolyl)carbamimidoyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[amino-(2-methylphenyl)iminomethyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[N'-(2-methylphenyl)carbamimidoyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[N'-(o-tolyl)amidino]thio]propane-1-sulfonic acid Formula: C11H16N2O3S2 MolecularWeight: 288.38634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(N)SCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1N=C(N)SCCCS(=O)(=O)O

InChI

InChI=1S/C11H16N2O3S2/c1-9-5-2-3-6-10(9)13-11(12)17-7-4-8-18(14,15)16/h2-3,5-6H,4,7-8H2,1H3,(H2,12,13)(H,14,15,16)