3-[bis(azanyl)methylideneamino]-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-methylsulfonyl-benzoic acid Openeye Name: 3-guanidino-4-methylsulfonyl-benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-methylsulfonylbenzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-methylsulfonylbenzoic acid Traditional Name: 3-guanidino-4-mesyl-benzoic acid Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O4S/c1-17(15,16)7-3-2-5(8(13)14)4-6(7)12-9(10)11/h2-4H,1H3,(H,13,14)(H4,10,11,12)