2-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(4-benzoxyphenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S/c28-20-24-8-4-5-9-26(24)35(32,33)30-18-16-29(17-19-30)27(31)15-12-22-10-13-25(14-11-22)34-21-23-6-2-1-3-7-23/h1-15H,16-19,21H2/b15-12+