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

Systemtic Name: 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(3-fluorophenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H18FN3O3S/c21-18-6-3-4-16(14-18)8-9-20(25)23-10-12-24(13-11-23)28(26,27)19-7-2-1-5-17(19)15-22/h1-9,14H,10-13H2/b9-8+