3-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethoxy]benzonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c22-16-19-7-4-8-20(15-19)28-17-21(25)23-10-12-24(13-11-23)29(26,27)14-9-18-5-2-1-3-6-18/h1-9,14-15H,10-13,17H2/b14-9+