2-[bis(azanyl)methylideneamino]-2-(4-methylsulfonylphenyl)sulfinyl-ethanoic acid

Systemtic Name: 2-[bis(azanyl)methylideneamino]-2-(4-methylsulfonylphenyl)sulfinyl-ethanoic acid Openeye Name: 2-guanidino-2-(4-methylsulfonylphenyl)sulfinyl-acetic acid CAS Name: 2-(diaminomethylideneamino)-2-(4-methylsulfonylphenyl)sulfinylacetic acid IUPAC Name: 2-(diaminomethylideneamino)-2-(4-methylsulfonylphenyl)sulfinylacetic acid Traditional Name: 2-guanidino-2-(4-mesylphenyl)sulfinyl-acetic acid Formula: C10H13N3O5S2 MolecularWeight: 319.35732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)C(C(=O)O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)C(C(=O)O)N=C(N)N

InChI

InChI=1S/C10H13N3O5S2/c1-20(17,18)7-4-2-6(3-5-7)19(16)8(9(14)15)13-10(11)12/h2-5,8H,1H3,(H,14,15)(H4,11,12,13)