Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES N#CCCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1

InChI InChI=1S/C14H13FN2O2S2/c15-12-4-1-6-14(10-12)21(18,19)17(8-3-7-16)11-13-5-2-9-20-13/h1-2,4-6,9-10H,3,8,11H2

InChIKey PUOVPIKYIRHUQP-UHFFFAOYSA-N

Molecular Weight

324.4