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

Systemtic Name: 2-[4-[2-[2-(phenylmethyl)phenoxy]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O4S/c27-19-23-11-5-7-13-25(23)34(31,32)29-16-14-28(15-17-29)26(30)20-33-24-12-6-4-10-22(24)18-21-8-2-1-3-9-21/h1-13H,14-18,20H2