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

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(methylsulfonylmethyl)benzoic acid Openeye Name: 3-guanidino-4-(methylsulfonylmethyl)benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-(methylsulfonylmethyl)benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-(methylsulfonylmethyl)benzoic acid Traditional Name: 3-guanidino-4-(mesylmethyl)benzoic acid Formula: C10H13N3O4S MolecularWeight: 271.29292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=C(C=C(C=C1)C(=O)O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)CC1=C(C=C(C=C1)C(=O)O)N=C(N)N

InChI

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