sodium 3-methoxy-2-oxidanylidene-3-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]azetidine-1-sulfonate

Systemtic Name: sodium 3-methoxy-2-oxidanylidene-3-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]azetidine-1-sulfonate Openeye Name: sodium 3-[(3-benzyloxy-3-oxo-2-phenyl-propanoyl)amino]-3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(1,3-dioxo-2-phenyl-3-phenylmethoxypropyl)amino]-3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-methoxy-2-oxo-3-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]azetidine-1-sulfonate Traditional Name: sodium 3-[(3-benzoxy-3-keto-2-phenyl-propanoyl)amino]-2-keto-3-methoxy-azetidine-1-sulfonate Formula: C20H19N2NaO8S MolecularWeight: 470.42823

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H20N2O8S.Na/c1-29-20(13-22(19(20)25)31(26,27)28)21-17(23)16(15-10-6-3-7-11-15)18(24)30-12-14-8-4-2-5-9-14;/h2-11,16H,12-13H2,1H3,(H,21,23)(H,26,27,28);/q;+1/p-1