4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(4-ethoxyphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(4-ethoxyphenoxy)propanoyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O5S/c1-2-29-19-5-7-20(8-6-19)30-16-11-22(26)24-12-14-25(15-13-24)31(27,28)21-9-3-18(17-23)4-10-21/h3-10H,2,11-16H2,1H3