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

Systemtic Name: sodium 2-oxidanylidene-3-(2-phenylazanylethanoylamino)azetidine-1-sulfonate Openeye Name: sodium 3-[(2-anilinoacetyl)amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(2-anilino-1-oxoethyl)amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[(2-anilinoacetyl)amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[(2-anilinoacetyl)amino]-2-keto-azetidine-1-sulfonate Formula: C11H12N3NaO5S MolecularWeight: 321.28485

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CNC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CNC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C11H13N3O5S.Na/c15-10(6-12-8-4-2-1-3-5-8)13-9-7-14(11(9)16)20(17,18)19;/h1-5,9,12H,6-7H2,(H,13,15)(H,17,18,19);/q;+1/p-1