3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c21-16-18-7-4-8-19(15-18)20(24)22-10-12-23(13-11-22)27(25,26)14-9-17-5-2-1-3-6-17/h1-9,14-15H,10-13H2/b14-9+