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 CCC(=O)NCc1cc2c(OC)cccc2n1S(=O)(=O)c1ccccc1

InChI

InChI=1S/C19H20N2O4S/c1-3-19(22)20-13-14-12-16-17(10-7-11-18(16)25-2)21(14)26(23,24)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,20,22)

InChIKey JUQRTIXIBNGZLP-UHFFFAOYSA-N

Molecular Weight

372.45