2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(3-pyridyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-3-(3-pyridinyl)propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(3-pyridyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H20N4O3S/c20-14-17-5-1-2-6-18(17)27(25,26)23-12-10-22(11-13-23)19(24)8-7-16-4-3-9-21-15-16/h1-6,9,15H,7-8,10-13H2