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

Systemtic Name: 3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N4O2S2/c22-14-17-5-4-8-20(13-17)29(26,27)25-11-9-24(10-12-25)15-19-16-28-21(23-19)18-6-2-1-3-7-18/h1-8,13,16H,9-12,15H2