4-ethyl-3-(pyridin-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-ethyl-3-(pyridin-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(2-pyridylmethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(2-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(pyridin-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(2-pyridylmethylsulfonyl)benzoic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=N2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=N2

InChI

InChI=1S/C15H15NO4S/c1-2-11-6-7-12(15(17)18)9-14(11)21(19,20)10-13-5-3-4-8-16-13/h3-9H,2,10H2,1H3,(H,17,18)