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

Systemtic Name: 2-[4-[2-(4-phenylmethoxyphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-benzyloxyphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-benzoxyphenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O5S/c27-18-22-8-4-5-9-25(22)35(31,32)29-16-14-28(15-17-29)26(30)20-34-24-12-10-23(11-13-24)33-19-21-6-2-1-3-7-21/h1-13H,14-17,19-20H2