2-oxidanylideneazetidine-1-sulfonate; N-[3-(pyridin-1-ium-3-ylmethylperoxymethyl)phenyl]methanamide

Systemtic Name: 2-oxidanylideneazetidine-1-sulfonate; N-[3-(pyridin-1-ium-3-ylmethylperoxymethyl)phenyl]methanamide Openeye Name: 2-oxoazetidine-1-sulfonate; N-[3-(pyridin-1-ium-3-ylmethylperoxymethyl)phenyl]formamide CAS Name: 2-oxo-1-azetidinesulfonate; N-[3-(3-pyridin-1-iumylmethyldioxymethyl)phenyl]formamide IUPAC Name: 2-oxoazetidine-1-sulfonate; N-[3-(pyridin-1-ium-3-ylmethylperoxymethyl)phenyl]formamide Traditional Name: 2-ketoazetidine-1-sulfonate; N-[3-(pyridin-1-ium-3-ylmethylperoxymethyl)phenyl]formamide Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1=O)S(=O)(=O)[O-].C1=CC(=CC(=C1)NC=O)COOCC2=C[NH+]=CC=C2

Isomeric SMILES

C1CN(C1=O)S(=O)(=O)[O-].C1=CC(=CC(=C1)NC=O)COOCC2=C[NH+]=CC=C2

InChI

InChI=1S/C14H14N2O3.C3H5NO4S/c17-11-16-14-5-1-3-12(7-14)9-18-19-10-13-4-2-6-15-8-13;5-3-1-2-4(3)9(6,7)8/h1-8,11H,9-10H2,(H,16,17);1-2H2,(H,6,7,8)