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 CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.Cl

InChI

InChI=1S/C18H24N2O4S.ClH/c1-19-13-16(21)14-24-17-7-9-18(10-8-17)25(22,23)20-12-11-15-5-3-2-4-6-15;/h2-10,16,19-21H,11-14H2,1H3;1H

InChIKey YJUPYTQXWFAGCC-UHFFFAOYSA-N

Molecular Weight

400.93