sodium 2-oxidanylidene-3-[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]ethanoylamino]azetidine-1-sulfonate

Systemtic Name: sodium 2-oxidanylidene-3-[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]ethanoylamino]azetidine-1-sulfonate Openeye Name: sodium 3-[[2-[2-(benzyloxycarbonylaminomethyl)phenyl]acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 2-oxo-3-[[1-oxo-2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl]amino]-1-azetidinesulfonate IUPAC Name: sodium 2-oxo-3-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]acetyl]amino]azetidine-1-sulfonate Traditional Name: sodium 3-[[2-[2-(benzyloxycarbonylaminomethyl)phenyl]acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C20H20N3NaO7S MolecularWeight: 469.44347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2CNC(=O)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2CNC(=O)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H21N3O7S.Na/c24-18(22-17-12-23(19(17)25)31(27,28)29)10-15-8-4-5-9-16(15)11-21-20(26)30-13-14-6-2-1-3-7-14;/h1-9,17H,10-13H2,(H,21,26)(H,22,24)(H,27,28,29);/q;+1/p-1