methyl 2-[[bis(azanyl)methylideneamino]sulfonylmethyl]benzoate

Systemtic Name: methyl 2-[[bis(azanyl)methylideneamino]sulfonylmethyl]benzoate Openeye Name: methyl 2-(guanidinosulfonylmethyl)benzoate CAS Name: 2-[(diaminomethylideneamino)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(diaminomethylideneamino)sulfonylmethyl]benzoate Traditional Name: 2-(guanidinosulfonylmethyl)benzoic acid methyl ester Formula: C10H13N3O4S MolecularWeight: 271.29292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CS(=O)(=O)N=C(N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1CS(=O)(=O)N=C(N)N

InChI

InChI=1S/C10H13N3O4S/c1-17-9(14)8-5-3-2-4-7(8)6-18(15,16)13-10(11)12/h2-5H,6H2,1H3,(H4,11,12,13)