3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidino]sulfonylbenzonitrile Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1C2=NOC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H18N4O3S/c21-14-15-5-4-8-18(13-15)28(25,26)24-11-9-16(10-12-24)19-22-20(27-23-19)17-6-2-1-3-7-17/h1-8,13,16H,9-12H2