sodium 3-(2-cyanoethanoylamino)-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-(2-cyanoethanoylamino)-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[(2-cyanoacetyl)amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(2-cyano-1-oxoethyl)amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[(2-cyanoacetyl)amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[(2-cyanoacetyl)amino]-2-keto-azetidine-1-sulfonate Formula: C6H6N3NaO5S MolecularWeight: 255.18371

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC#N.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC#N.[Na+]

InChI

InChI=1S/C6H7N3O5S.Na/c7-2-1-5(10)8-4-3-9(6(4)11)15(12,13)14;/h4H,1,3H2,(H,8,10)(H,12,13,14);/q;+1/p-1