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 CNc1cc(-c2cccnc2)ccc1S(=O)(=O)c1ccccc1

InChI InChI=1S/C18H16N2O2S/c1-19-17-12-14(15-6-5-11-20-13-15)9-10-18(17)23(21,22)16-7-3-2-4-8-16/h2-13,19H,1H3

InChIKey SYYLGPXHUBBOCD-UHFFFAOYSA-N

Molecular Weight

324.41