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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(N(C1=O)S(=O)(=O)C)C(=O)OC)N=C(N)N

Isomeric SMILES

CCC(C1C(N(C1=O)S(=O)(=O)C)C(=O)OC)N=C(N)N

InChI

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