sodium (1R,5S)-6-oxidanylidene-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate

Systemtic Name: sodium (1R,5S)-6-oxidanylidene-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Openeye Name: sodium (1R,5S)-4-benzyloxycarbonyl-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate CAS Name: sodium (1R,5S)-6-oxo-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate IUPAC Name: sodium (1R,5S)-6-oxo-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Traditional Name: sodium (1R,5S)-4-carbobenzoxy-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Formula: C13H13N2NaO6S MolecularWeight: 348.30689

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)[O-])C(=O)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN([C@H]2[C@@H]1N(C2=O)S(=O)(=O)[O-])C(=O)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C13H14N2O6S.Na/c16-12-11-10(15(12)22(18,19)20)6-7-14(11)13(17)21-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H,18,19,20);/q;+1/p-1/t10-,11+;/m1./s1