2-[4-(pyridin-2-ylmethylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(pyridin-2-ylmethylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[4-(2-pyridylmethylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-(2-pyridinylmethylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[4-(pyridin-2-ylmethylsulfonyl)phenyl]acetic acid Traditional Name: 2-[4-(2-pyridylmethylsulfonyl)phenyl]acetic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H13NO4S/c16-14(17)9-11-4-6-13(7-5-11)20(18,19)10-12-3-1-2-8-15-12/h1-8H,9-10H2,(H,16,17)