2-[4-[2-[phenyl-(phenylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[phenyl-(phenylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(N-benzylanilino)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(N-(phenylmethyl)anilino)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(N-benzylanilino)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(N-benzylanilino)acetyl]piperazino]sulfonylbenzonitrile Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN(CC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CN(CC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H26N4O3S/c27-19-23-11-7-8-14-25(23)34(32,33)30-17-15-28(16-18-30)26(31)21-29(24-12-5-2-6-13-24)20-22-9-3-1-4-10-22/h1-14H,15-18,20-21H2