2-oxidanyl-5-(2-pyridin-4-ylethylsulfonyl)benzoate

Systemtic Name: 2-oxidanyl-5-(2-pyridin-4-ylethylsulfonyl)benzoate Openeye Name: 2-hydroxy-5-[2-(4-pyridyl)ethylsulfonyl]benzoate CAS Name: 2-hydroxy-5-(2-pyridin-4-ylethylsulfonyl)benzoate IUPAC Name: 2-hydroxy-5-(2-pyridin-4-ylethylsulfonyl)benzoate Traditional Name: 2-hydroxy-5-[2-(4-pyridyl)ethylsulfonyl]benzoate Formula: C14H12NO5S- MolecularWeight: 306.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCC2=CC=NC=C2)C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCC2=CC=NC=C2)C(=O)[O-])O

InChI

InChI=1S/C14H13NO5S/c16-13-2-1-11(9-12(13)14(17)18)21(19,20)8-5-10-3-6-15-7-4-10/h1-4,6-7,9,16H,5,8H2,(H,17,18)/p-1