2-(N'-phenylcarbamimidoyl)sulfanylethanesulfonic acid

Systemtic Name: 2-(N'-phenylcarbamimidoyl)sulfanylethanesulfonic acid Openeye Name: 2-(N'-phenylcarbamimidoyl)sulfanylethanesulfonic acid CAS Name: 2-[[amino(phenylimino)methyl]thio]ethanesulfonic acid IUPAC Name: 2-(N'-phenylcarbamimidoyl)sulfanylethanesulfonic acid Traditional Name: 2-[(N'-phenylamidino)thio]ethanesulfonic acid Formula: C9H12N2O3S2 MolecularWeight: 260.33318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCCS(=O)(=O)O

InChI

InChI=1S/C9H12N2O3S2/c10-9(15-6-7-16(12,13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)(H,12,13,14)