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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC2=CC=NC=C2

InChI

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