sodium 3-[(2,6-dimethoxyphenyl)carbonylamino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[(2,6-dimethoxyphenyl)carbonylamino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[(2,6-dimethoxybenzoyl)amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[(2,6-dimethoxybenzoyl)amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[(2,6-dimethoxybenzoyl)amino]-2-keto-azetidine-1-sulfonate Formula: C12H13N2NaO7S MolecularWeight: 352.29559

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2CN(C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2CN(C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H14N2O7S.Na/c1-20-8-4-3-5-9(21-2)10(8)11(15)13-7-6-14(12(7)16)22(17,18)19;/h3-5,7H,6H2,1-2H3,(H,13,15)(H,17,18,19);/q;+1/p-1