2-[4-[2-(4-phenylpiperazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-phenylpiperazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-phenylpiperazino)acetyl]piperazino]sulfonylbenzonitrile Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c24-18-20-6-4-5-9-22(20)32(30,31)28-16-14-27(15-17-28)23(29)19-25-10-12-26(13-11-25)21-7-2-1-3-8-21/h1-9H,10-17,19H2