2-[4-[2-(2-methanoylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-methanoylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-formylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-formylphenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-formylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-formylphenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC=C2C=O)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC=C2C=O)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H19N3O5S/c21-13-16-5-2-4-8-19(16)29(26,27)23-11-9-22(10-12-23)20(25)15-28-18-7-3-1-6-17(18)14-24/h1-8,14H,9-12,15H2