4-(pyridin-4-ylmethylsulfonyl)benzoate

Systemtic Name: 4-(pyridin-4-ylmethylsulfonyl)benzoate Openeye Name: 4-(4-pyridylmethylsulfonyl)benzoate CAS Name: 4-(pyridin-4-ylmethylsulfonyl)benzoate IUPAC Name: 4-(pyridin-4-ylmethylsulfonyl)benzoate Traditional Name: 4-(4-pyridylmethylsulfonyl)benzoate Formula: C13H10NO4S- MolecularWeight: 276.2878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC2=CC=NC=C2

InChI

InChI=1S/C13H11NO4S/c15-13(16)11-1-3-12(4-2-11)19(17,18)9-10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16)/p-1