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 COc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1

InChI InChI=1S/C15H14N2O3S/c1-20-13-4-6-14(7-5-13)21(18,19)17-12-3-2-11-8-9-16-15(11)10-12/h2-10,16-17H,1H3

InChIKey AXXOIFRZVNPIBL-UHFFFAOYSA-N

Molecular Weight

302.36