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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CN=CC=C2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CN=CC=C2

InChI

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