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 CNC[C@@H](C)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O

InChI

InChI=1S/C17H20FN3O2S/c1-13(11-19-2)12-20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1

InChIKey AMRZCARGTNPWTE-CYBMUJFWSA-N

Molecular Weight

349.43