methyl 4-[1-[bis(azanyl)methylideneamino]propyl]-2-methylsulfonyl-3-oxidanylidene-azetidine-2-carboxylate

Systemtic Name: methyl 4-[1-[bis(azanyl)methylideneamino]propyl]-2-methylsulfonyl-3-oxidanylidene-azetidine-2-carboxylate Openeye Name: methyl 4-(1-guanidinopropyl)-2-methylsulfonyl-3-oxo-azetidine-2-carboxylate CAS Name: 4-[1-(diaminomethylideneamino)propyl]-2-methylsulfonyl-3-oxo-2-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[1-(diaminomethylideneamino)propyl]-2-methylsulfonyl-3-oxoazetidine-2-carboxylate Traditional Name: 4-(1-guanidinopropyl)-3-keto-2-mesyl-azetidine-2-carboxylic acid methyl ester Formula: C10H18N4O5S MolecularWeight: 306.33872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(=O)C(N1)(C(=O)OC)S(=O)(=O)C)N=C(N)N

Isomeric SMILES

CCC(C1C(=O)C(N1)(C(=O)OC)S(=O)(=O)C)N=C(N)N

InChI

InChI=1S/C10H18N4O5S/c1-4-5(13-9(11)12)6-7(15)10(14-6,8(16)19-2)20(3,17)18/h5-6,14H,4H2,1-3H3,(H4,11,12,13)