3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N5O4S/c1-29-18-7-5-17(6-8-18)21-23-20(30-24-21)15-25-9-11-26(12-10-25)31(27,28)19-4-2-3-16(13-19)14-22/h2-8,13H,9-12,15H2,1H3