4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1-oxo-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N6O4S/c22-14-16-3-5-18(6-4-16)32(29,30)27-12-10-26(11-13-27)20(28)8-7-19-24-21(25-31-19)17-2-1-9-23-15-17/h1-6,9,15H,7-8,10-13H2