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 Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1CNS(C)(=O)=O

InChI

InChI=1S/C18H27N3O2S/c1-13-10-14(2)18-16(7-8-19-18)17(13)12-21-9-5-4-6-15(21)11-20-24(3,22)23/h7-8,10,15,19-20H,4-6,9,11-12H2,1-3H3

InChIKey XRNFWBFMZMHFDQ-UHFFFAOYSA-N

Molecular Weight

349.5