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

Systemtic Name: sodium 3-[(2-azido-2-phenyl-ethanoyl)amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[(2-azido-2-phenyl-acetyl)amino]-3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(2-azido-1-oxo-2-phenylethyl)amino]-3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[(2-azido-2-phenylacetyl)amino]-3-methoxy-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[(2-azido-2-phenyl-acetyl)amino]-2-keto-3-methoxy-azetidine-1-sulfonate Formula: C12H12N5NaO6S MolecularWeight: 377.30835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)N=[N+]=[N-].[Na+]

Isomeric SMILES

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)N=[N+]=[N-].[Na+]

InChI

InChI=1S/C12H13N5O6S.Na/c1-23-12(7-17(11(12)19)24(20,21)22)14-10(18)9(15-16-13)8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3,(H,14,18)(H,20,21,22);/q;+1/p-1