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

Systemtic Name: 3-[bis(azanyl)methylamino]-4-(methylsulfonylmethyl)benzoic acid Openeye Name: 3-(diaminomethylamino)-4-(methylsulfonylmethyl)benzoic acid CAS Name: 3-(diaminomethylamino)-4-(methylsulfonylmethyl)benzoic acid IUPAC Name: 3-(diaminomethylamino)-4-(methylsulfonylmethyl)benzoic acid Traditional Name: 3-(diaminomethylamino)-4-(mesylmethyl)benzoic acid Formula: C10H15N3O4S MolecularWeight: 273.3088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O4S/c1-18(16,17)5-7-3-2-6(9(14)15)4-8(7)13-10(11)12/h2-4,10,13H,5,11-12H2,1H3,(H,14,15)