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

Systemtic Name: 4-[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3S/c1-17(2)19-5-7-20(8-6-19)23-25-22(31-26-23)16-27-11-13-28(14-12-27)32(29,30)21-9-3-18(15-24)4-10-21/h3-10,17H,11-14,16H2,1-2H3