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

Systemtic Name: 4-ethyl-3-(pyridin-4-ylmethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(4-pyridylmethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(pyridin-4-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(pyridin-4-ylmethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(4-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=NC=C2

Isomeric SMILES

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

InChI

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