sodium 3-[[2-azido-2-(3-chlorophenyl)ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[2-azido-2-(3-chlorophenyl)ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-azido-2-(3-chlorophenyl)acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-azido-2-(3-chlorophenyl)-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-azido-2-(3-chlorophenyl)acetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-azido-2-(3-chlorophenyl)acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C11H9ClN5NaO5S MolecularWeight: 381.72743

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC(=CC=C2)Cl)N=[N+]=[N-].[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC(=CC=C2)Cl)N=[N+]=[N-].[Na+]

InChI

InChI=1S/C11H10ClN5O5S.Na/c12-7-3-1-2-6(4-7)9(15-16-13)10(18)14-8-5-17(11(8)19)23(20,21)22;/h1-4,8-9H,5H2,(H,14,18)(H,20,21,22);/q;+1/p-1