sodium 2-[(3-methoxy-2-oxidanylidene-azetidin-3-yl)amino]-2-oxidanylidene-1-phenyl-ethanesulfonate

Systemtic Name: sodium 2-[(3-methoxy-2-oxidanylidene-azetidin-3-yl)amino]-2-oxidanylidene-1-phenyl-ethanesulfonate Openeye Name: sodium 2-[(3-methoxy-2-oxo-azetidin-3-yl)amino]-2-oxo-1-phenyl-ethanesulfonate CAS Name: sodium 2-[(3-methoxy-2-oxo-3-azetidinyl)amino]-2-oxo-1-phenylethanesulfonate IUPAC Name: sodium 2-[(3-methoxy-2-oxoazetidin-3-yl)amino]-2-oxo-1-phenylethanesulfonate Traditional Name: sodium 2-keto-2-[(2-keto-3-methoxy-azetidin-3-yl)amino]-1-phenyl-ethanesulfonate Formula: C12H13N2NaO6S MolecularWeight: 336.29619

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CNC1=O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1(CNC1=O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H14N2O6S.Na/c1-20-12(7-13-11(12)16)14-10(15)9(21(17,18)19)8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3,(H,13,16)(H,14,15)(H,17,18,19);/q;+1/p-1