sodium 2-oxidanylidene-3-[[2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]azetidine-1-sulfonate

Systemtic Name: sodium 2-oxidanylidene-3-[[2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]azetidine-1-sulfonate Openeye Name: sodium 2-oxo-3-[[2-[(2-oxochromene-3-carbonyl)amino]-2-phenyl-acetyl]amino]azetidine-1-sulfonate CAS Name: sodium 2-oxo-3-[[1-oxo-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-2-phenylethyl]amino]-1-azetidinesulfonate IUPAC Name: sodium 2-oxo-3-[[2-[(2-oxochromene-3-carbonyl)amino]-2-phenylacetyl]amino]azetidine-1-sulfonate Traditional Name: sodium 2-keto-3-[[2-[(2-ketochromene-3-carbonyl)amino]-2-phenyl-acetyl]amino]azetidine-1-sulfonate Formula: C21H16N3NaO8S MolecularWeight: 493.42181

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O.[Na+]

InChI

InChI=1S/C21H17N3O8S.Na/c25-18(14-10-13-8-4-5-9-16(13)32-21(14)28)23-17(12-6-2-1-3-7-12)19(26)22-15-11-24(20(15)27)33(29,30)31;/h1-10,15,17H,11H2,(H,22,26)(H,23,25)(H,29,30,31);/q;+1/p-1