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

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(methylsulfonylamino)benzoic acid Openeye Name: 3-guanidino-4-(methanesulfonamido)benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-(methanesulfonamido)benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-(methanesulfonamido)benzoic acid Traditional Name: 3-guanidino-4-(methanesulfonamido)benzoic acid Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)O)N=C(N)N

InChI

InChI=1S/C9H12N4O4S/c1-18(16,17)13-6-3-2-5(8(14)15)4-7(6)12-9(10)11/h2-4,13H,1H3,(H,14,15)(H4,10,11,12)