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

Systemtic Name: 4-[4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(E)-3-(2,4-dimethylphenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H23N3O3S/c1-17-3-6-20(18(2)15-17)7-10-22(26)24-11-13-25(14-12-24)29(27,28)21-8-4-19(16-23)5-9-21/h3-10,15H,11-14H2,1-2H3/b10-7+