4-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4O2S2/c1-17-2-6-19(7-3-17)22-24-20(16-29-22)15-25-10-12-26(13-11-25)30(27,28)21-8-4-18(14-23)5-9-21/h2-9,16H,10-13,15H2,1H3