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

Systemtic Name: 2-oxidanyl-5-(pyridin-4-ylmethylazanidylsulfonyl)benzoate Openeye Name: 2-hydroxy-5-(4-pyridylmethylazanidylsulfonyl)benzoate CAS Name: 2-hydroxy-5-(pyridin-4-ylmethylazanidylsulfonyl)benzoate IUPAC Name: 2-hydroxy-5-(pyridin-4-ylmethylazanidylsulfonyl)benzoate Traditional Name: 2-hydroxy-5-(4-pyridylmethylazanidylsulfonyl)benzoate Formula: C13H10N2O5S-2 MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[N-]CC2=CC=NC=C2)C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[N-]CC2=CC=NC=C2)C(=O)[O-])O

InChI

InChI=1S/C13H11N2O5S/c16-12-2-1-10(7-11(12)13(17)18)21(19,20)15-8-9-3-5-14-6-4-9/h1-7,16H,8H2,(H,17,18)/q-1/p-1